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You searched for subject:(Electronic structure). Showing records 1 – 30 of 78 total matches.

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Iowa State University

1. Toombs, Asa. Structural and bonding characteristics of Ga-containing polar intermetallics.

Degree: 2018, Iowa State University

 High temperature solid-state synthesis and electronic structure calculations were used to characterize and analyze Ga containing polar intermetallic compounds, specifically systems with late transition metals… (more)

Subjects/Keywords: Bonding; Electronic Structure; Intermetallics; Chemistry

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APA (6th Edition):

Toombs, A. (2018). Structural and bonding characteristics of Ga-containing polar intermetallics. (Thesis). Iowa State University. Retrieved from https://lib.dr.iastate.edu/etd/17336

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Chicago Manual of Style (16th Edition):

Toombs, Asa. “Structural and bonding characteristics of Ga-containing polar intermetallics.” 2018. Thesis, Iowa State University. Accessed August 20, 2019. https://lib.dr.iastate.edu/etd/17336.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

MLA Handbook (7th Edition):

Toombs, Asa. “Structural and bonding characteristics of Ga-containing polar intermetallics.” 2018. Web. 20 Aug 2019.

Vancouver:

Toombs A. Structural and bonding characteristics of Ga-containing polar intermetallics. [Internet] [Thesis]. Iowa State University; 2018. [cited 2019 Aug 20]. Available from: https://lib.dr.iastate.edu/etd/17336.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Council of Science Editors:

Toombs A. Structural and bonding characteristics of Ga-containing polar intermetallics. [Thesis]. Iowa State University; 2018. Available from: https://lib.dr.iastate.edu/etd/17336

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation


Virginia Tech

2. Lewis, Cannada Andrew. The Unreasonable Usefulness of Approximation by Linear Combination.

Degree: PhD, Chemistry, 2018, Virginia Tech

 Through the exploitation of data-sparsity  – a catch all term for savings gained from a variety of approximations – it is possible to reduce the computational… (more)

Subjects/Keywords: Electronic Structure; Data-Sparsity; Tensor; Reduced Scaling

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APA (6th Edition):

Lewis, C. A. (2018). The Unreasonable Usefulness of Approximation by Linear Combination. (Doctoral Dissertation). Virginia Tech. Retrieved from http://hdl.handle.net/10919/83866

Chicago Manual of Style (16th Edition):

Lewis, Cannada Andrew. “The Unreasonable Usefulness of Approximation by Linear Combination.” 2018. Doctoral Dissertation, Virginia Tech. Accessed August 20, 2019. http://hdl.handle.net/10919/83866.

MLA Handbook (7th Edition):

Lewis, Cannada Andrew. “The Unreasonable Usefulness of Approximation by Linear Combination.” 2018. Web. 20 Aug 2019.

Vancouver:

Lewis CA. The Unreasonable Usefulness of Approximation by Linear Combination. [Internet] [Doctoral dissertation]. Virginia Tech; 2018. [cited 2019 Aug 20]. Available from: http://hdl.handle.net/10919/83866.

Council of Science Editors:

Lewis CA. The Unreasonable Usefulness of Approximation by Linear Combination. [Doctoral Dissertation]. Virginia Tech; 2018. Available from: http://hdl.handle.net/10919/83866


Vanderbilt University

3. Brock, Casey Neil. Automated Optimization of Pseudopotentials for Faster and More Accurate Plane Wave Density Functional Theory Calculations in Materials.

Degree: PhD, Interdisciplinary Materials Science, 2019, Vanderbilt University

 In principle, the properties of materials are determined by the behavior of electrons. Therefore quantum mechanical electronic structure calculations play a critical role in materials… (more)

Subjects/Keywords: pseudopotentials; density functional theory; electronic structure

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APA (6th Edition):

Brock, C. N. (2019). Automated Optimization of Pseudopotentials for Faster and More Accurate Plane Wave Density Functional Theory Calculations in Materials. (Doctoral Dissertation). Vanderbilt University. Retrieved from http://etd.library.vanderbilt.edu/available/etd-05162019-154431/ ;

Chicago Manual of Style (16th Edition):

Brock, Casey Neil. “Automated Optimization of Pseudopotentials for Faster and More Accurate Plane Wave Density Functional Theory Calculations in Materials.” 2019. Doctoral Dissertation, Vanderbilt University. Accessed August 20, 2019. http://etd.library.vanderbilt.edu/available/etd-05162019-154431/ ;.

MLA Handbook (7th Edition):

Brock, Casey Neil. “Automated Optimization of Pseudopotentials for Faster and More Accurate Plane Wave Density Functional Theory Calculations in Materials.” 2019. Web. 20 Aug 2019.

Vancouver:

Brock CN. Automated Optimization of Pseudopotentials for Faster and More Accurate Plane Wave Density Functional Theory Calculations in Materials. [Internet] [Doctoral dissertation]. Vanderbilt University; 2019. [cited 2019 Aug 20]. Available from: http://etd.library.vanderbilt.edu/available/etd-05162019-154431/ ;.

Council of Science Editors:

Brock CN. Automated Optimization of Pseudopotentials for Faster and More Accurate Plane Wave Density Functional Theory Calculations in Materials. [Doctoral Dissertation]. Vanderbilt University; 2019. Available from: http://etd.library.vanderbilt.edu/available/etd-05162019-154431/ ;


University of Minnesota

4. Grofe, Adam. Development of Multistate Density Functional Theory for Photochemistry and Vibrational Dynamics using Quantum Vibration Perturbation Theory.

Degree: PhD, Chemistry, 2018, University of Minnesota

 This dissertation is contains two separates areas of research. The first three Chapters focus on the development and several proof-of-concepts for multistate density functional theory… (more)

Subjects/Keywords: Electronic Structure; Molecular Dynamics; MSDFT; QVP; Solvatochromism

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APA (6th Edition):

Grofe, A. (2018). Development of Multistate Density Functional Theory for Photochemistry and Vibrational Dynamics using Quantum Vibration Perturbation Theory. (Doctoral Dissertation). University of Minnesota. Retrieved from http://hdl.handle.net/11299/199079

Chicago Manual of Style (16th Edition):

Grofe, Adam. “Development of Multistate Density Functional Theory for Photochemistry and Vibrational Dynamics using Quantum Vibration Perturbation Theory.” 2018. Doctoral Dissertation, University of Minnesota. Accessed August 20, 2019. http://hdl.handle.net/11299/199079.

MLA Handbook (7th Edition):

Grofe, Adam. “Development of Multistate Density Functional Theory for Photochemistry and Vibrational Dynamics using Quantum Vibration Perturbation Theory.” 2018. Web. 20 Aug 2019.

Vancouver:

Grofe A. Development of Multistate Density Functional Theory for Photochemistry and Vibrational Dynamics using Quantum Vibration Perturbation Theory. [Internet] [Doctoral dissertation]. University of Minnesota; 2018. [cited 2019 Aug 20]. Available from: http://hdl.handle.net/11299/199079.

Council of Science Editors:

Grofe A. Development of Multistate Density Functional Theory for Photochemistry and Vibrational Dynamics using Quantum Vibration Perturbation Theory. [Doctoral Dissertation]. University of Minnesota; 2018. Available from: http://hdl.handle.net/11299/199079


University of Texas – Austin

5. Garrett, Benjamin Fonville. Computational methods for understanding the role of electric fields in quantum confined materials.

Degree: Physics, 2017, University of Texas – Austin

 The invention of pseudopotential-density functional theory to solve for the electronic structure of materials is one of the major successes of modern computational physics. A… (more)

Subjects/Keywords: DFT; Electronic structure; Confined quantum system; Electronic fields

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APA (6th Edition):

Garrett, B. F. (2017). Computational methods for understanding the role of electric fields in quantum confined materials. (Thesis). University of Texas – Austin. Retrieved from http://hdl.handle.net/2152/63726

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Chicago Manual of Style (16th Edition):

Garrett, Benjamin Fonville. “Computational methods for understanding the role of electric fields in quantum confined materials.” 2017. Thesis, University of Texas – Austin. Accessed August 20, 2019. http://hdl.handle.net/2152/63726.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

MLA Handbook (7th Edition):

Garrett, Benjamin Fonville. “Computational methods for understanding the role of electric fields in quantum confined materials.” 2017. Web. 20 Aug 2019.

Vancouver:

Garrett BF. Computational methods for understanding the role of electric fields in quantum confined materials. [Internet] [Thesis]. University of Texas – Austin; 2017. [cited 2019 Aug 20]. Available from: http://hdl.handle.net/2152/63726.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Council of Science Editors:

Garrett BF. Computational methods for understanding the role of electric fields in quantum confined materials. [Thesis]. University of Texas – Austin; 2017. Available from: http://hdl.handle.net/2152/63726

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

6. Gonano, Bruno. Influence des ions sulfates sur la physico-chimie d'oxydes de fer type perovskite : Influence of sulfates ions on the physical and chemical properties of perovskite type iron oxides.

Degree: Docteur es, Chimie, 2017, Normandie

Au cours de cette étude, nous avons montré que dans les oxydes de fer type perovskite, les ions sulfates (SO42-) pouvaient être utilisés à escient… (more)

Subjects/Keywords: Structure cristalline; Transport électronique; Iron oxides; Crystal structure; Infrared spectroscopy; Transmission electron microscopy; Magnetic structure; Electronic transport

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APA (6th Edition):

Gonano, B. (2017). Influence des ions sulfates sur la physico-chimie d'oxydes de fer type perovskite : Influence of sulfates ions on the physical and chemical properties of perovskite type iron oxides. (Doctoral Dissertation). Normandie. Retrieved from http://www.theses.fr/2017NORMC222

Chicago Manual of Style (16th Edition):

Gonano, Bruno. “Influence des ions sulfates sur la physico-chimie d'oxydes de fer type perovskite : Influence of sulfates ions on the physical and chemical properties of perovskite type iron oxides.” 2017. Doctoral Dissertation, Normandie. Accessed August 20, 2019. http://www.theses.fr/2017NORMC222.

MLA Handbook (7th Edition):

Gonano, Bruno. “Influence des ions sulfates sur la physico-chimie d'oxydes de fer type perovskite : Influence of sulfates ions on the physical and chemical properties of perovskite type iron oxides.” 2017. Web. 20 Aug 2019.

Vancouver:

Gonano B. Influence des ions sulfates sur la physico-chimie d'oxydes de fer type perovskite : Influence of sulfates ions on the physical and chemical properties of perovskite type iron oxides. [Internet] [Doctoral dissertation]. Normandie; 2017. [cited 2019 Aug 20]. Available from: http://www.theses.fr/2017NORMC222.

Council of Science Editors:

Gonano B. Influence des ions sulfates sur la physico-chimie d'oxydes de fer type perovskite : Influence of sulfates ions on the physical and chemical properties of perovskite type iron oxides. [Doctoral Dissertation]. Normandie; 2017. Available from: http://www.theses.fr/2017NORMC222


Carnegie Mellon University

7. Yu, Xiaoxiao. High Throughput Assessment of Multicomponent Alloy Materials.

Degree: 2018, Carnegie Mellon University

 Multicomponent metal alloys play an essential role in many technologies and their properties must be optimized by rational selection of the alloy’s components and its… (more)

Subjects/Keywords: Alloy; electronic structure; High throughput; interdiffusion; phase transition; thermal interface conductance

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APA (6th Edition):

Yu, X. (2018). High Throughput Assessment of Multicomponent Alloy Materials. (Thesis). Carnegie Mellon University. Retrieved from http://repository.cmu.edu/dissertations/1150

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Chicago Manual of Style (16th Edition):

Yu, Xiaoxiao. “High Throughput Assessment of Multicomponent Alloy Materials.” 2018. Thesis, Carnegie Mellon University. Accessed August 20, 2019. http://repository.cmu.edu/dissertations/1150.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

MLA Handbook (7th Edition):

Yu, Xiaoxiao. “High Throughput Assessment of Multicomponent Alloy Materials.” 2018. Web. 20 Aug 2019.

Vancouver:

Yu X. High Throughput Assessment of Multicomponent Alloy Materials. [Internet] [Thesis]. Carnegie Mellon University; 2018. [cited 2019 Aug 20]. Available from: http://repository.cmu.edu/dissertations/1150.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Council of Science Editors:

Yu X. High Throughput Assessment of Multicomponent Alloy Materials. [Thesis]. Carnegie Mellon University; 2018. Available from: http://repository.cmu.edu/dissertations/1150

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation


Univerzitet u Beogradu

8. Čebela, Maria, 1982-. Sinteza i karakterizacija nanočestičnog bizmut-ferita (BiFeO3).

Degree: Fakultet za fizičku hemiju, 2017, Univerzitet u Beogradu

Fizička hemija - Fizička hemija materijala / Physical chemistry - Physical chemistry of materials

Bizmut ferit pripada grupi multiferoičnih materijala koji pokazuju feromagnetna i feroelektrična svojstva na sobnoj temperaturi, što otvara mogućnost njihove tehnološke primene...

Advisors/Committee Members: Hercigonja, Radmila, 1951-.

Subjects/Keywords: multiferroics; bismuth ferrite (BiFeO3); materials characterization; electronic structure; theoretical modelling

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APA (6th Edition):

Čebela, Maria, 1. (2017). Sinteza i karakterizacija nanočestičnog bizmut-ferita (BiFeO3). (Thesis). Univerzitet u Beogradu. Retrieved from https://fedorabg.bg.ac.rs/fedora/get/o:16761/bdef:Content/get

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Chicago Manual of Style (16th Edition):

Čebela, Maria, 1982-. “Sinteza i karakterizacija nanočestičnog bizmut-ferita (BiFeO3).” 2017. Thesis, Univerzitet u Beogradu. Accessed August 20, 2019. https://fedorabg.bg.ac.rs/fedora/get/o:16761/bdef:Content/get.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

MLA Handbook (7th Edition):

Čebela, Maria, 1982-. “Sinteza i karakterizacija nanočestičnog bizmut-ferita (BiFeO3).” 2017. Web. 20 Aug 2019.

Vancouver:

Čebela, Maria 1. Sinteza i karakterizacija nanočestičnog bizmut-ferita (BiFeO3). [Internet] [Thesis]. Univerzitet u Beogradu; 2017. [cited 2019 Aug 20]. Available from: https://fedorabg.bg.ac.rs/fedora/get/o:16761/bdef:Content/get.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Council of Science Editors:

Čebela, Maria 1. Sinteza i karakterizacija nanočestičnog bizmut-ferita (BiFeO3). [Thesis]. Univerzitet u Beogradu; 2017. Available from: https://fedorabg.bg.ac.rs/fedora/get/o:16761/bdef:Content/get

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation


Princeton University

9. Guo, Sheng. Perturbation Theories Based on the Density Matrix Renormalization Group .

Degree: PhD, 2018, Princeton University

 This thesis describes the development of perturbation theories based on the density matrix renormalization group (DMRG) and their applications to strongly correlated electronic systems. We… (more)

Subjects/Keywords: Density matrix renormalization group; Electronic structure; Perturbation theory; Strong correlations

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APA (6th Edition):

Guo, S. (2018). Perturbation Theories Based on the Density Matrix Renormalization Group . (Doctoral Dissertation). Princeton University. Retrieved from http://arks.princeton.edu/ark:/88435/dsp01mg74qp81f

Chicago Manual of Style (16th Edition):

Guo, Sheng. “Perturbation Theories Based on the Density Matrix Renormalization Group .” 2018. Doctoral Dissertation, Princeton University. Accessed August 20, 2019. http://arks.princeton.edu/ark:/88435/dsp01mg74qp81f.

MLA Handbook (7th Edition):

Guo, Sheng. “Perturbation Theories Based on the Density Matrix Renormalization Group .” 2018. Web. 20 Aug 2019.

Vancouver:

Guo S. Perturbation Theories Based on the Density Matrix Renormalization Group . [Internet] [Doctoral dissertation]. Princeton University; 2018. [cited 2019 Aug 20]. Available from: http://arks.princeton.edu/ark:/88435/dsp01mg74qp81f.

Council of Science Editors:

Guo S. Perturbation Theories Based on the Density Matrix Renormalization Group . [Doctoral Dissertation]. Princeton University; 2018. Available from: http://arks.princeton.edu/ark:/88435/dsp01mg74qp81f


Virginia Tech

10. Pavosevic, Fabijan. Explicitly Correlated Methods for Large Molecular Systems.

Degree: PhD, Chemistry, 2018, Virginia Tech

 Wave function based electronic structure methods have became a robust and reliable tool for the prediction and interpretation of the results of chemical experiments. However,… (more)

Subjects/Keywords: Electronic Structure; Reduced Scaling; Explicit Correlation; Green's Functions

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APA (6th Edition):

Pavosevic, F. (2018). Explicitly Correlated Methods for Large Molecular Systems. (Doctoral Dissertation). Virginia Tech. Retrieved from http://hdl.handle.net/10919/82000

Chicago Manual of Style (16th Edition):

Pavosevic, Fabijan. “Explicitly Correlated Methods for Large Molecular Systems.” 2018. Doctoral Dissertation, Virginia Tech. Accessed August 20, 2019. http://hdl.handle.net/10919/82000.

MLA Handbook (7th Edition):

Pavosevic, Fabijan. “Explicitly Correlated Methods for Large Molecular Systems.” 2018. Web. 20 Aug 2019.

Vancouver:

Pavosevic F. Explicitly Correlated Methods for Large Molecular Systems. [Internet] [Doctoral dissertation]. Virginia Tech; 2018. [cited 2019 Aug 20]. Available from: http://hdl.handle.net/10919/82000.

Council of Science Editors:

Pavosevic F. Explicitly Correlated Methods for Large Molecular Systems. [Doctoral Dissertation]. Virginia Tech; 2018. Available from: http://hdl.handle.net/10919/82000


Boise State University

11. Prince, Jonathan. Modern Electronic Structure Theory: The Search for Chemical Accuracy.

Degree: 2018, Boise State University

Electronic structure theory has progressed significantly within the last few decades, venturing far from the early days of the Hartree-Fock self-consistent field method. Modern electronic(more)

Subjects/Keywords: theoretical chemistry; electronic structure theory; computational chemistry; compound methods; Physical Chemistry

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APA (6th Edition):

Prince, J. (2018). Modern Electronic Structure Theory: The Search for Chemical Accuracy. (Thesis). Boise State University. Retrieved from https://scholarworks.boisestate.edu/td/1436

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Chicago Manual of Style (16th Edition):

Prince, Jonathan. “Modern Electronic Structure Theory: The Search for Chemical Accuracy.” 2018. Thesis, Boise State University. Accessed August 20, 2019. https://scholarworks.boisestate.edu/td/1436.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

MLA Handbook (7th Edition):

Prince, Jonathan. “Modern Electronic Structure Theory: The Search for Chemical Accuracy.” 2018. Web. 20 Aug 2019.

Vancouver:

Prince J. Modern Electronic Structure Theory: The Search for Chemical Accuracy. [Internet] [Thesis]. Boise State University; 2018. [cited 2019 Aug 20]. Available from: https://scholarworks.boisestate.edu/td/1436.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Council of Science Editors:

Prince J. Modern Electronic Structure Theory: The Search for Chemical Accuracy. [Thesis]. Boise State University; 2018. Available from: https://scholarworks.boisestate.edu/td/1436

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation


University of Cambridge

12. Schwarz, Lauretta Rebecca. Projector Quantum Monte Carlo Methods for Linear and Non-linear Wavefunction Ansatzes .

Degree: 2017, University of Cambridge

 This thesis is concerned with the development of a Projector Quantum Monte Carlo method for non-linear wavefunction ansatzes and its application to strongly correlated materials.… (more)

Subjects/Keywords: theoretical chemistry; electronic structure theory; Quantum Monte Carlo methods

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APA (6th Edition):

Schwarz, L. R. (2017). Projector Quantum Monte Carlo Methods for Linear and Non-linear Wavefunction Ansatzes . (Thesis). University of Cambridge. Retrieved from https://www.repository.cam.ac.uk/handle/1810/267871

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Chicago Manual of Style (16th Edition):

Schwarz, Lauretta Rebecca. “Projector Quantum Monte Carlo Methods for Linear and Non-linear Wavefunction Ansatzes .” 2017. Thesis, University of Cambridge. Accessed August 20, 2019. https://www.repository.cam.ac.uk/handle/1810/267871.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

MLA Handbook (7th Edition):

Schwarz, Lauretta Rebecca. “Projector Quantum Monte Carlo Methods for Linear and Non-linear Wavefunction Ansatzes .” 2017. Web. 20 Aug 2019.

Vancouver:

Schwarz LR. Projector Quantum Monte Carlo Methods for Linear and Non-linear Wavefunction Ansatzes . [Internet] [Thesis]. University of Cambridge; 2017. [cited 2019 Aug 20]. Available from: https://www.repository.cam.ac.uk/handle/1810/267871.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Council of Science Editors:

Schwarz LR. Projector Quantum Monte Carlo Methods for Linear and Non-linear Wavefunction Ansatzes . [Thesis]. University of Cambridge; 2017. Available from: https://www.repository.cam.ac.uk/handle/1810/267871

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation


University of Oxford

13. Peng, Han. Spatial resolved electronic structure of low dimensional materials and data analysis.

Degree: PhD, 2018, University of Oxford

 Two dimensional (2D) materials with interesting fundamental physics and potential applications attract tremendous efforts to study. The versatile properties of 2D materials can be further… (more)

Subjects/Keywords: Condensed matter physics; Electronic structure; Data analysis; Convolutional Neural Network; Graphene

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APA (6th Edition):

Peng, H. (2018). Spatial resolved electronic structure of low dimensional materials and data analysis. (Doctoral Dissertation). University of Oxford. Retrieved from http://ora.ox.ac.uk/objects/uuid:2f3503eb-93bf-48d6-b6fb-13409b925748 ; https://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.757823

Chicago Manual of Style (16th Edition):

Peng, Han. “Spatial resolved electronic structure of low dimensional materials and data analysis.” 2018. Doctoral Dissertation, University of Oxford. Accessed August 20, 2019. http://ora.ox.ac.uk/objects/uuid:2f3503eb-93bf-48d6-b6fb-13409b925748 ; https://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.757823.

MLA Handbook (7th Edition):

Peng, Han. “Spatial resolved electronic structure of low dimensional materials and data analysis.” 2018. Web. 20 Aug 2019.

Vancouver:

Peng H. Spatial resolved electronic structure of low dimensional materials and data analysis. [Internet] [Doctoral dissertation]. University of Oxford; 2018. [cited 2019 Aug 20]. Available from: http://ora.ox.ac.uk/objects/uuid:2f3503eb-93bf-48d6-b6fb-13409b925748 ; https://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.757823.

Council of Science Editors:

Peng H. Spatial resolved electronic structure of low dimensional materials and data analysis. [Doctoral Dissertation]. University of Oxford; 2018. Available from: http://ora.ox.ac.uk/objects/uuid:2f3503eb-93bf-48d6-b6fb-13409b925748 ; https://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.757823


Colorado School of Mines

14. Williams, Luke S. Molecular dynamics simulations and electronic structure calculations of type I and type II silicon clathrates.

Degree: MS(M.S.), Chemistry, 2017, Colorado School of Mines

 The ability of Group IV elements to catenate underlies the possibility for a breadth of metastable allotropes with novel properties. Two such allotropes are type… (more)

Subjects/Keywords: Electronic structure; Molecular dynamics; Clathrates; Silicon; Group IV

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APA (6th Edition):

Williams, L. S. (2017). Molecular dynamics simulations and electronic structure calculations of type I and type II silicon clathrates. (Masters Thesis). Colorado School of Mines. Retrieved from http://hdl.handle.net/11124/171826

Chicago Manual of Style (16th Edition):

Williams, Luke S. “Molecular dynamics simulations and electronic structure calculations of type I and type II silicon clathrates.” 2017. Masters Thesis, Colorado School of Mines. Accessed August 20, 2019. http://hdl.handle.net/11124/171826.

MLA Handbook (7th Edition):

Williams, Luke S. “Molecular dynamics simulations and electronic structure calculations of type I and type II silicon clathrates.” 2017. Web. 20 Aug 2019.

Vancouver:

Williams LS. Molecular dynamics simulations and electronic structure calculations of type I and type II silicon clathrates. [Internet] [Masters thesis]. Colorado School of Mines; 2017. [cited 2019 Aug 20]. Available from: http://hdl.handle.net/11124/171826.

Council of Science Editors:

Williams LS. Molecular dynamics simulations and electronic structure calculations of type I and type II silicon clathrates. [Masters Thesis]. Colorado School of Mines; 2017. Available from: http://hdl.handle.net/11124/171826


University of Ontario Institute of Technology

15. Maharaj, Amber. Characterizing the potential energy surface of two dimensional and bulk materials using high dimensional neural network potentials.

Degree: 2018, University of Ontario Institute of Technology

 Computing material properties at the ab-initio level of detail is computationally prohibitive for large systems or long timescales. As a result, such methods cannot be… (more)

Subjects/Keywords: Machine learning; Neural networks; Electronic structure; Computational materials science

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APA (6th Edition):

Maharaj, A. (2018). Characterizing the potential energy surface of two dimensional and bulk materials using high dimensional neural network potentials. (Thesis). University of Ontario Institute of Technology. Retrieved from http://hdl.handle.net/10155/967

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Chicago Manual of Style (16th Edition):

Maharaj, Amber. “Characterizing the potential energy surface of two dimensional and bulk materials using high dimensional neural network potentials.” 2018. Thesis, University of Ontario Institute of Technology. Accessed August 20, 2019. http://hdl.handle.net/10155/967.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

MLA Handbook (7th Edition):

Maharaj, Amber. “Characterizing the potential energy surface of two dimensional and bulk materials using high dimensional neural network potentials.” 2018. Web. 20 Aug 2019.

Vancouver:

Maharaj A. Characterizing the potential energy surface of two dimensional and bulk materials using high dimensional neural network potentials. [Internet] [Thesis]. University of Ontario Institute of Technology; 2018. [cited 2019 Aug 20]. Available from: http://hdl.handle.net/10155/967.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Council of Science Editors:

Maharaj A. Characterizing the potential energy surface of two dimensional and bulk materials using high dimensional neural network potentials. [Thesis]. University of Ontario Institute of Technology; 2018. Available from: http://hdl.handle.net/10155/967

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation


University of California – Irvine

16. Chen, Guo. Beyond the Random-Phase Approximation: Theory, Efficient Implementations, and Applications to Rare-Earth and Actinide Chemistry.

Degree: Chemistry, 2019, University of California – Irvine

 The random-phase approximation (RPA) incorporates many appealing features absent in semilocal density functional theory (DFT) without excessively increasing computational cost. The first half of this… (more)

Subjects/Keywords: Chemistry; actinide; DFT; electronic structure; low-scaling; rare-earth; RPA

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APA (6th Edition):

Chen, G. (2019). Beyond the Random-Phase Approximation: Theory, Efficient Implementations, and Applications to Rare-Earth and Actinide Chemistry. (Thesis). University of California – Irvine. Retrieved from http://www.escholarship.org/uc/item/8wg315rx

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Chicago Manual of Style (16th Edition):

Chen, Guo. “Beyond the Random-Phase Approximation: Theory, Efficient Implementations, and Applications to Rare-Earth and Actinide Chemistry.” 2019. Thesis, University of California – Irvine. Accessed August 20, 2019. http://www.escholarship.org/uc/item/8wg315rx.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

MLA Handbook (7th Edition):

Chen, Guo. “Beyond the Random-Phase Approximation: Theory, Efficient Implementations, and Applications to Rare-Earth and Actinide Chemistry.” 2019. Web. 20 Aug 2019.

Vancouver:

Chen G. Beyond the Random-Phase Approximation: Theory, Efficient Implementations, and Applications to Rare-Earth and Actinide Chemistry. [Internet] [Thesis]. University of California – Irvine; 2019. [cited 2019 Aug 20]. Available from: http://www.escholarship.org/uc/item/8wg315rx.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Council of Science Editors:

Chen G. Beyond the Random-Phase Approximation: Theory, Efficient Implementations, and Applications to Rare-Earth and Actinide Chemistry. [Thesis]. University of California – Irvine; 2019. Available from: http://www.escholarship.org/uc/item/8wg315rx

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

17. Hicks, Jason M. Computational Studies Of Oxides Relevant To Clean Energy, Catalytic Processing Of Renewables, And Biological Systems.

Degree: PhD, Chemistry, 2018, University of North Dakota

  Computational chemistry has grown into a large field and is continuing to grow every year in both number and variety of applications. This dissertation… (more)

Subjects/Keywords: Cu2O2; electronic structure theory; GVVPT2; lignin; metalloid oxides; multireference perturbation theory

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APA (6th Edition):

Hicks, J. M. (2018). Computational Studies Of Oxides Relevant To Clean Energy, Catalytic Processing Of Renewables, And Biological Systems. (Doctoral Dissertation). University of North Dakota. Retrieved from https://commons.und.edu/theses/2232

Chicago Manual of Style (16th Edition):

Hicks, Jason M. “Computational Studies Of Oxides Relevant To Clean Energy, Catalytic Processing Of Renewables, And Biological Systems.” 2018. Doctoral Dissertation, University of North Dakota. Accessed August 20, 2019. https://commons.und.edu/theses/2232.

MLA Handbook (7th Edition):

Hicks, Jason M. “Computational Studies Of Oxides Relevant To Clean Energy, Catalytic Processing Of Renewables, And Biological Systems.” 2018. Web. 20 Aug 2019.

Vancouver:

Hicks JM. Computational Studies Of Oxides Relevant To Clean Energy, Catalytic Processing Of Renewables, And Biological Systems. [Internet] [Doctoral dissertation]. University of North Dakota; 2018. [cited 2019 Aug 20]. Available from: https://commons.und.edu/theses/2232.

Council of Science Editors:

Hicks JM. Computational Studies Of Oxides Relevant To Clean Energy, Catalytic Processing Of Renewables, And Biological Systems. [Doctoral Dissertation]. University of North Dakota; 2018. Available from: https://commons.und.edu/theses/2232


University of Illinois – Urbana-Champaign

18. Johnson, Cole M. Monte Carlo explicitly correlated methods.

Degree: PhD, Chemistry, 2018, University of Illinois – Urbana-Champaign

 Solving the non-relativistic time-independent electronic Schrödinger equation is in general difficult and requires approximation. For experimental accuracy, wave-function based methods require a large set of… (more)

Subjects/Keywords: Electronic structure theory; Explicitly correlated methods; Monte Carlo

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APA (6th Edition):

Johnson, C. M. (2018). Monte Carlo explicitly correlated methods. (Doctoral Dissertation). University of Illinois – Urbana-Champaign. Retrieved from http://hdl.handle.net/2142/100987

Chicago Manual of Style (16th Edition):

Johnson, Cole M. “Monte Carlo explicitly correlated methods.” 2018. Doctoral Dissertation, University of Illinois – Urbana-Champaign. Accessed August 20, 2019. http://hdl.handle.net/2142/100987.

MLA Handbook (7th Edition):

Johnson, Cole M. “Monte Carlo explicitly correlated methods.” 2018. Web. 20 Aug 2019.

Vancouver:

Johnson CM. Monte Carlo explicitly correlated methods. [Internet] [Doctoral dissertation]. University of Illinois – Urbana-Champaign; 2018. [cited 2019 Aug 20]. Available from: http://hdl.handle.net/2142/100987.

Council of Science Editors:

Johnson CM. Monte Carlo explicitly correlated methods. [Doctoral Dissertation]. University of Illinois – Urbana-Champaign; 2018. Available from: http://hdl.handle.net/2142/100987


Cornell University

19. Fuemmeler, Eric. Quantum Mechanical Studies of Nonadiabatic Systems .

Degree: 2018, Cornell University

 Understanding nonadiabatic processes is tantamount to understanding the mechanisms underlying phenomena such as energy transfer in photovoltaic cells and catalysis at metal surfaces. A complete… (more)

Subjects/Keywords: quantum dynamics; electronic structure theory; Excited States; Chemistry

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APA (6th Edition):

Fuemmeler, E. (2018). Quantum Mechanical Studies of Nonadiabatic Systems . (Thesis). Cornell University. Retrieved from http://hdl.handle.net/1813/59462

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Chicago Manual of Style (16th Edition):

Fuemmeler, Eric. “Quantum Mechanical Studies of Nonadiabatic Systems .” 2018. Thesis, Cornell University. Accessed August 20, 2019. http://hdl.handle.net/1813/59462.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

MLA Handbook (7th Edition):

Fuemmeler, Eric. “Quantum Mechanical Studies of Nonadiabatic Systems .” 2018. Web. 20 Aug 2019.

Vancouver:

Fuemmeler E. Quantum Mechanical Studies of Nonadiabatic Systems . [Internet] [Thesis]. Cornell University; 2018. [cited 2019 Aug 20]. Available from: http://hdl.handle.net/1813/59462.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Council of Science Editors:

Fuemmeler E. Quantum Mechanical Studies of Nonadiabatic Systems . [Thesis]. Cornell University; 2018. Available from: http://hdl.handle.net/1813/59462

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation


University of Minnesota

20. Massatt, Daniel. Electronic Structure of Incommensurate Bilayer Heterostructures.

Degree: PhD, Mathematics, 2018, University of Minnesota

 In this work, we study the electronic structure of incommensurate 2D heterostruc- tures. 2D heterostructures consist of stacked sheets, each consisting of a periodic array… (more)

Subjects/Keywords: 2D material; density of states; electronic structure; incommensurate

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APA (6th Edition):

Massatt, D. (2018). Electronic Structure of Incommensurate Bilayer Heterostructures. (Doctoral Dissertation). University of Minnesota. Retrieved from http://hdl.handle.net/11299/201144

Chicago Manual of Style (16th Edition):

Massatt, Daniel. “Electronic Structure of Incommensurate Bilayer Heterostructures.” 2018. Doctoral Dissertation, University of Minnesota. Accessed August 20, 2019. http://hdl.handle.net/11299/201144.

MLA Handbook (7th Edition):

Massatt, Daniel. “Electronic Structure of Incommensurate Bilayer Heterostructures.” 2018. Web. 20 Aug 2019.

Vancouver:

Massatt D. Electronic Structure of Incommensurate Bilayer Heterostructures. [Internet] [Doctoral dissertation]. University of Minnesota; 2018. [cited 2019 Aug 20]. Available from: http://hdl.handle.net/11299/201144.

Council of Science Editors:

Massatt D. Electronic Structure of Incommensurate Bilayer Heterostructures. [Doctoral Dissertation]. University of Minnesota; 2018. Available from: http://hdl.handle.net/11299/201144

21. Groizard, Thomas. Vers de nouvelles machines moléculaires organométalliques à ligands carbonés : une approche théorique : Theoretical approach for new molecular organometallic wire-based devices.

Degree: Docteur es, Chimie physique, chimie théorique, 2018, Rennes 1

Les fils moléculaires, systèmes organiques conjugués incorporant plusieurs greffons organométalliques, constituent une famille de composés de grand intérêt pour l'électronique moléculaire. Les travaux présentés dans… (more)

Subjects/Keywords: DFT; QCA; Fils organométalliques; Structure électronique; Propriétés optiques; DFT; QCA; Organometallic wires; Electronic structure; Optical properties

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APA (6th Edition):

Groizard, T. (2018). Vers de nouvelles machines moléculaires organométalliques à ligands carbonés : une approche théorique : Theoretical approach for new molecular organometallic wire-based devices. (Doctoral Dissertation). Rennes 1. Retrieved from http://www.theses.fr/2018REN1S034

Chicago Manual of Style (16th Edition):

Groizard, Thomas. “Vers de nouvelles machines moléculaires organométalliques à ligands carbonés : une approche théorique : Theoretical approach for new molecular organometallic wire-based devices.” 2018. Doctoral Dissertation, Rennes 1. Accessed August 20, 2019. http://www.theses.fr/2018REN1S034.

MLA Handbook (7th Edition):

Groizard, Thomas. “Vers de nouvelles machines moléculaires organométalliques à ligands carbonés : une approche théorique : Theoretical approach for new molecular organometallic wire-based devices.” 2018. Web. 20 Aug 2019.

Vancouver:

Groizard T. Vers de nouvelles machines moléculaires organométalliques à ligands carbonés : une approche théorique : Theoretical approach for new molecular organometallic wire-based devices. [Internet] [Doctoral dissertation]. Rennes 1; 2018. [cited 2019 Aug 20]. Available from: http://www.theses.fr/2018REN1S034.

Council of Science Editors:

Groizard T. Vers de nouvelles machines moléculaires organométalliques à ligands carbonés : une approche théorique : Theoretical approach for new molecular organometallic wire-based devices. [Doctoral Dissertation]. Rennes 1; 2018. Available from: http://www.theses.fr/2018REN1S034


Texas State University – San Marcos

22. -4147-7537. First Principles Study on the Effects of Vacancies and Mg Doping on the Physical Properties of CuAlO2, AgAlO2, CuCrO2, and AgCrO2 Transparent Conductor Oxides.

Degree: MS, Physics, 2018, Texas State University – San Marcos

 The need for well understood, commercially available p-type transparent conducting oxides for incorporation into basic transparent semiconducting devices alongside their already well understood and available… (more)

Subjects/Keywords: Physics; Density Functional Theory; Crystal Structure; Electronic Structure; Hole Effective Masses; Optical Properties; Defects; Dopants; Transparent Conducting Oxides

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APA (6th Edition):

-4147-7537. (2018). First Principles Study on the Effects of Vacancies and Mg Doping on the Physical Properties of CuAlO2, AgAlO2, CuCrO2, and AgCrO2 Transparent Conductor Oxides. (Masters Thesis). Texas State University – San Marcos. Retrieved from https://digital.library.txstate.edu/handle/10877/7756

Note: this citation may be lacking information needed for this citation format:
Author name may be incomplete

Chicago Manual of Style (16th Edition):

-4147-7537. “First Principles Study on the Effects of Vacancies and Mg Doping on the Physical Properties of CuAlO2, AgAlO2, CuCrO2, and AgCrO2 Transparent Conductor Oxides.” 2018. Masters Thesis, Texas State University – San Marcos. Accessed August 20, 2019. https://digital.library.txstate.edu/handle/10877/7756.

Note: this citation may be lacking information needed for this citation format:
Author name may be incomplete

MLA Handbook (7th Edition):

-4147-7537. “First Principles Study on the Effects of Vacancies and Mg Doping on the Physical Properties of CuAlO2, AgAlO2, CuCrO2, and AgCrO2 Transparent Conductor Oxides.” 2018. Web. 20 Aug 2019.

Note: this citation may be lacking information needed for this citation format:
Author name may be incomplete

Vancouver:

-4147-7537. First Principles Study on the Effects of Vacancies and Mg Doping on the Physical Properties of CuAlO2, AgAlO2, CuCrO2, and AgCrO2 Transparent Conductor Oxides. [Internet] [Masters thesis]. Texas State University – San Marcos; 2018. [cited 2019 Aug 20]. Available from: https://digital.library.txstate.edu/handle/10877/7756.

Note: this citation may be lacking information needed for this citation format:
Author name may be incomplete

Council of Science Editors:

-4147-7537. First Principles Study on the Effects of Vacancies and Mg Doping on the Physical Properties of CuAlO2, AgAlO2, CuCrO2, and AgCrO2 Transparent Conductor Oxides. [Masters Thesis]. Texas State University – San Marcos; 2018. Available from: https://digital.library.txstate.edu/handle/10877/7756

Note: this citation may be lacking information needed for this citation format:
Author name may be incomplete


Texas State University – San Marcos

23. -4147-7537. First Principles Study on the Effects of Vacancies and Mg Doping on the Physical Properties of CuAlO2, AgAlO2, CuCrO2, and AgCrO2 Transparent Conductor Oxides.

Degree: MS, Physics, 2018, Texas State University – San Marcos

 The need for well understood, commercially available p-type transparent conducting oxides for incorporation into basic transparent semiconducting devices alongside their already well understood and available… (more)

Subjects/Keywords: Physics; Density Functional Theory; Crystal Structure; Electronic Structure; Hole Effective Masses; Optical Properties; Defects; Dopants; Transparent Conducting Oxides

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APA · Chicago · MLA · Vancouver · CSE | Export to Zotero / EndNote / Reference Manager

APA (6th Edition):

-4147-7537. (2018). First Principles Study on the Effects of Vacancies and Mg Doping on the Physical Properties of CuAlO2, AgAlO2, CuCrO2, and AgCrO2 Transparent Conductor Oxides. (Masters Thesis). Texas State University – San Marcos. Retrieved from https://digital.library.txstate.edu/handle/10877/7757

Note: this citation may be lacking information needed for this citation format:
Author name may be incomplete

Chicago Manual of Style (16th Edition):

-4147-7537. “First Principles Study on the Effects of Vacancies and Mg Doping on the Physical Properties of CuAlO2, AgAlO2, CuCrO2, and AgCrO2 Transparent Conductor Oxides.” 2018. Masters Thesis, Texas State University – San Marcos. Accessed August 20, 2019. https://digital.library.txstate.edu/handle/10877/7757.

Note: this citation may be lacking information needed for this citation format:
Author name may be incomplete

MLA Handbook (7th Edition):

-4147-7537. “First Principles Study on the Effects of Vacancies and Mg Doping on the Physical Properties of CuAlO2, AgAlO2, CuCrO2, and AgCrO2 Transparent Conductor Oxides.” 2018. Web. 20 Aug 2019.

Note: this citation may be lacking information needed for this citation format:
Author name may be incomplete

Vancouver:

-4147-7537. First Principles Study on the Effects of Vacancies and Mg Doping on the Physical Properties of CuAlO2, AgAlO2, CuCrO2, and AgCrO2 Transparent Conductor Oxides. [Internet] [Masters thesis]. Texas State University – San Marcos; 2018. [cited 2019 Aug 20]. Available from: https://digital.library.txstate.edu/handle/10877/7757.

Note: this citation may be lacking information needed for this citation format:
Author name may be incomplete

Council of Science Editors:

-4147-7537. First Principles Study on the Effects of Vacancies and Mg Doping on the Physical Properties of CuAlO2, AgAlO2, CuCrO2, and AgCrO2 Transparent Conductor Oxides. [Masters Thesis]. Texas State University – San Marcos; 2018. Available from: https://digital.library.txstate.edu/handle/10877/7757

Note: this citation may be lacking information needed for this citation format:
Author name may be incomplete


Université de Lorraine

24. Obeid, Sabah. Étude théorique de l'ionisation simple de la molécule H3+ : application des fonction d'onde tri-centriques du continuum électroniques et états liés : Theoretical study of the simple ionization of the H3+ molecule : application of tricentric electronic wave functions of the continuum and bound states.

Degree: Docteur es, Physique. Physique atomique et moléculaire, 2018, Université de Lorraine

La thèse concerne l’étude de l’ionisation dissociative simple (e,2e) de l’ion tri-centrique le plus simple de la nature H+3 qui est constitué par trois centres… (more)

Subjects/Keywords: Ionisation dissociative simple; Ion tri-centrique; Structure électronique; Hydrogène; Simple ionization; Tri-centric ion; Electronic structure; Hydrogen; 537.532

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APA (6th Edition):

Obeid, S. (2018). Étude théorique de l'ionisation simple de la molécule H3+ : application des fonction d'onde tri-centriques du continuum électroniques et états liés : Theoretical study of the simple ionization of the H3+ molecule : application of tricentric electronic wave functions of the continuum and bound states. (Doctoral Dissertation). Université de Lorraine. Retrieved from http://www.theses.fr/2018LORR0084

Chicago Manual of Style (16th Edition):

Obeid, Sabah. “Étude théorique de l'ionisation simple de la molécule H3+ : application des fonction d'onde tri-centriques du continuum électroniques et états liés : Theoretical study of the simple ionization of the H3+ molecule : application of tricentric electronic wave functions of the continuum and bound states.” 2018. Doctoral Dissertation, Université de Lorraine. Accessed August 20, 2019. http://www.theses.fr/2018LORR0084.

MLA Handbook (7th Edition):

Obeid, Sabah. “Étude théorique de l'ionisation simple de la molécule H3+ : application des fonction d'onde tri-centriques du continuum électroniques et états liés : Theoretical study of the simple ionization of the H3+ molecule : application of tricentric electronic wave functions of the continuum and bound states.” 2018. Web. 20 Aug 2019.

Vancouver:

Obeid S. Étude théorique de l'ionisation simple de la molécule H3+ : application des fonction d'onde tri-centriques du continuum électroniques et états liés : Theoretical study of the simple ionization of the H3+ molecule : application of tricentric electronic wave functions of the continuum and bound states. [Internet] [Doctoral dissertation]. Université de Lorraine; 2018. [cited 2019 Aug 20]. Available from: http://www.theses.fr/2018LORR0084.

Council of Science Editors:

Obeid S. Étude théorique de l'ionisation simple de la molécule H3+ : application des fonction d'onde tri-centriques du continuum électroniques et états liés : Theoretical study of the simple ionization of the H3+ molecule : application of tricentric electronic wave functions of the continuum and bound states. [Doctoral Dissertation]. Université de Lorraine; 2018. Available from: http://www.theses.fr/2018LORR0084

25. Lee, Min-I. Atomic structure, electronic states and relaxation dynamics in photovoltaic materials and interfaces from photoemission-related spectroscopies : Structure atomique, états électroniques et dynamique de relaxation dans des matériaux et interfaces photovoltaïques par spectroscopies connexes à la photoémission.

Degree: Docteur es, Physique, 2018, Paris Saclay

L'efficacité du processus photovoltaïque dépend du matériau actif à travers la structure de bande et la dynamique des porteurs de charge. Dans cette thèse, nous… (more)

Subjects/Keywords: Photovoltaïque; Interfaces; Propriétés des électroniques; Structure atomique; Dynamique ultra-rapide; Photovoltaic; Interfaces; Electronic properties; Structure atomic; Ultra-fast dynamics

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APA (6th Edition):

Lee, M. (2018). Atomic structure, electronic states and relaxation dynamics in photovoltaic materials and interfaces from photoemission-related spectroscopies : Structure atomique, états électroniques et dynamique de relaxation dans des matériaux et interfaces photovoltaïques par spectroscopies connexes à la photoémission. (Doctoral Dissertation). Paris Saclay. Retrieved from http://www.theses.fr/2018SACLS220

Chicago Manual of Style (16th Edition):

Lee, Min-I. “Atomic structure, electronic states and relaxation dynamics in photovoltaic materials and interfaces from photoemission-related spectroscopies : Structure atomique, états électroniques et dynamique de relaxation dans des matériaux et interfaces photovoltaïques par spectroscopies connexes à la photoémission.” 2018. Doctoral Dissertation, Paris Saclay. Accessed August 20, 2019. http://www.theses.fr/2018SACLS220.

MLA Handbook (7th Edition):

Lee, Min-I. “Atomic structure, electronic states and relaxation dynamics in photovoltaic materials and interfaces from photoemission-related spectroscopies : Structure atomique, états électroniques et dynamique de relaxation dans des matériaux et interfaces photovoltaïques par spectroscopies connexes à la photoémission.” 2018. Web. 20 Aug 2019.

Vancouver:

Lee M. Atomic structure, electronic states and relaxation dynamics in photovoltaic materials and interfaces from photoemission-related spectroscopies : Structure atomique, états électroniques et dynamique de relaxation dans des matériaux et interfaces photovoltaïques par spectroscopies connexes à la photoémission. [Internet] [Doctoral dissertation]. Paris Saclay; 2018. [cited 2019 Aug 20]. Available from: http://www.theses.fr/2018SACLS220.

Council of Science Editors:

Lee M. Atomic structure, electronic states and relaxation dynamics in photovoltaic materials and interfaces from photoemission-related spectroscopies : Structure atomique, états électroniques et dynamique de relaxation dans des matériaux et interfaces photovoltaïques par spectroscopies connexes à la photoémission. [Doctoral Dissertation]. Paris Saclay; 2018. Available from: http://www.theses.fr/2018SACLS220

26. Vuckovic, S. Fully Nonlocal Exchange-Correlation Functionals from the Strong-coupling limit of Density Functional Theory .

Degree: 2017, Vrije Universiteit Amsterdam

Subjects/Keywords: DFT; electronic correlation; strong correlation; electronic structure; computational chemistry

Page 1

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APA (6th Edition):

Vuckovic, S. (2017). Fully Nonlocal Exchange-Correlation Functionals from the Strong-coupling limit of Density Functional Theory . (Doctoral Dissertation). Vrije Universiteit Amsterdam. Retrieved from http://hdl.handle.net/1871/55421

Chicago Manual of Style (16th Edition):

Vuckovic, S. “Fully Nonlocal Exchange-Correlation Functionals from the Strong-coupling limit of Density Functional Theory .” 2017. Doctoral Dissertation, Vrije Universiteit Amsterdam. Accessed August 20, 2019. http://hdl.handle.net/1871/55421.

MLA Handbook (7th Edition):

Vuckovic, S. “Fully Nonlocal Exchange-Correlation Functionals from the Strong-coupling limit of Density Functional Theory .” 2017. Web. 20 Aug 2019.

Vancouver:

Vuckovic S. Fully Nonlocal Exchange-Correlation Functionals from the Strong-coupling limit of Density Functional Theory . [Internet] [Doctoral dissertation]. Vrije Universiteit Amsterdam; 2017. [cited 2019 Aug 20]. Available from: http://hdl.handle.net/1871/55421.

Council of Science Editors:

Vuckovic S. Fully Nonlocal Exchange-Correlation Functionals from the Strong-coupling limit of Density Functional Theory . [Doctoral Dissertation]. Vrije Universiteit Amsterdam; 2017. Available from: http://hdl.handle.net/1871/55421

27. Di Felice, Daniela. Electronic structure and transport in the graphene/MoS₂ heterostructure for the conception of a field effect transistor : Structure électronique et transport dans l'hétérostructure graphène/MoS₂ pour la conception d'un transistor à effet de champ.

Degree: Docteur es, Physique de la matière condensée, 2018, Paris Saclay

L'isolement du graphène, une monocouche de graphite composée d'un plan d’atomes de carbone, a démontré qu'il est possible de séparer un seul plan d'épaisseur atomique,… (more)

Subjects/Keywords: DFT; Matériaux 2D; Structure électronique; Hétérostructure de Van der Waals; Transistor; Transport électronique; DFT; 2D materials; Electronic structure; Van der Waals heterostructure; Transistor; Electronic transport

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APA (6th Edition):

Di Felice, D. (2018). Electronic structure and transport in the graphene/MoS₂ heterostructure for the conception of a field effect transistor : Structure électronique et transport dans l'hétérostructure graphène/MoS₂ pour la conception d'un transistor à effet de champ. (Doctoral Dissertation). Paris Saclay. Retrieved from http://www.theses.fr/2018SACLS267

Chicago Manual of Style (16th Edition):

Di Felice, Daniela. “Electronic structure and transport in the graphene/MoS₂ heterostructure for the conception of a field effect transistor : Structure électronique et transport dans l'hétérostructure graphène/MoS₂ pour la conception d'un transistor à effet de champ.” 2018. Doctoral Dissertation, Paris Saclay. Accessed August 20, 2019. http://www.theses.fr/2018SACLS267.

MLA Handbook (7th Edition):

Di Felice, Daniela. “Electronic structure and transport in the graphene/MoS₂ heterostructure for the conception of a field effect transistor : Structure électronique et transport dans l'hétérostructure graphène/MoS₂ pour la conception d'un transistor à effet de champ.” 2018. Web. 20 Aug 2019.

Vancouver:

Di Felice D. Electronic structure and transport in the graphene/MoS₂ heterostructure for the conception of a field effect transistor : Structure électronique et transport dans l'hétérostructure graphène/MoS₂ pour la conception d'un transistor à effet de champ. [Internet] [Doctoral dissertation]. Paris Saclay; 2018. [cited 2019 Aug 20]. Available from: http://www.theses.fr/2018SACLS267.

Council of Science Editors:

Di Felice D. Electronic structure and transport in the graphene/MoS₂ heterostructure for the conception of a field effect transistor : Structure électronique et transport dans l'hétérostructure graphène/MoS₂ pour la conception d'un transistor à effet de champ. [Doctoral Dissertation]. Paris Saclay; 2018. Available from: http://www.theses.fr/2018SACLS267


University of Washington

28. Williams-Young, David Bruce. Towards Efficient and Scalable Electronic Structure Methods for the Treatment of Relativistic Effects and Molecular Response.

Degree: PhD, 2018, University of Washington

 In the context of electronic structure theory, formal theoretical development must be accompanied by efficient and scalable computer implementation in order to study molecular systems… (more)

Subjects/Keywords: Electronic Structure Theory; High Performance Computing; Molecular Response; Numerical Methods; Relativity; Theoretical Chemistry; Chemistry; Chemistry

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APA · Chicago · MLA · Vancouver · CSE | Export to Zotero / EndNote / Reference Manager

APA (6th Edition):

Williams-Young, D. B. (2018). Towards Efficient and Scalable Electronic Structure Methods for the Treatment of Relativistic Effects and Molecular Response. (Doctoral Dissertation). University of Washington. Retrieved from http://hdl.handle.net/1773/42243

Chicago Manual of Style (16th Edition):

Williams-Young, David Bruce. “Towards Efficient and Scalable Electronic Structure Methods for the Treatment of Relativistic Effects and Molecular Response.” 2018. Doctoral Dissertation, University of Washington. Accessed August 20, 2019. http://hdl.handle.net/1773/42243.

MLA Handbook (7th Edition):

Williams-Young, David Bruce. “Towards Efficient and Scalable Electronic Structure Methods for the Treatment of Relativistic Effects and Molecular Response.” 2018. Web. 20 Aug 2019.

Vancouver:

Williams-Young DB. Towards Efficient and Scalable Electronic Structure Methods for the Treatment of Relativistic Effects and Molecular Response. [Internet] [Doctoral dissertation]. University of Washington; 2018. [cited 2019 Aug 20]. Available from: http://hdl.handle.net/1773/42243.

Council of Science Editors:

Williams-Young DB. Towards Efficient and Scalable Electronic Structure Methods for the Treatment of Relativistic Effects and Molecular Response. [Doctoral Dissertation]. University of Washington; 2018. Available from: http://hdl.handle.net/1773/42243


University of Cambridge

29. Constantinescu, Gabriel Cristian. Large-scale density functional theory study of van-der-Waals heterostructures.

Degree: PhD, 2018, University of Cambridge

 Research on two-dimensional (2D) materials currently occupies a sizeable fraction of the materials science community, which has led to the development of a comprehensive body… (more)

Subjects/Keywords: Condensed Matter; Physics; 2D materials; Density Functional Theory; Electronic Structure; Device Simulation; Vibrational Properties; Crystals

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APA · Chicago · MLA · Vancouver · CSE | Export to Zotero / EndNote / Reference Manager

APA (6th Edition):

Constantinescu, G. C. (2018). Large-scale density functional theory study of van-der-Waals heterostructures. (Doctoral Dissertation). University of Cambridge. Retrieved from https://www.repository.cam.ac.uk/handle/1810/274876 ; https://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.744704

Chicago Manual of Style (16th Edition):

Constantinescu, Gabriel Cristian. “Large-scale density functional theory study of van-der-Waals heterostructures.” 2018. Doctoral Dissertation, University of Cambridge. Accessed August 20, 2019. https://www.repository.cam.ac.uk/handle/1810/274876 ; https://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.744704.

MLA Handbook (7th Edition):

Constantinescu, Gabriel Cristian. “Large-scale density functional theory study of van-der-Waals heterostructures.” 2018. Web. 20 Aug 2019.

Vancouver:

Constantinescu GC. Large-scale density functional theory study of van-der-Waals heterostructures. [Internet] [Doctoral dissertation]. University of Cambridge; 2018. [cited 2019 Aug 20]. Available from: https://www.repository.cam.ac.uk/handle/1810/274876 ; https://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.744704.

Council of Science Editors:

Constantinescu GC. Large-scale density functional theory study of van-der-Waals heterostructures. [Doctoral Dissertation]. University of Cambridge; 2018. Available from: https://www.repository.cam.ac.uk/handle/1810/274876 ; https://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.744704

30. Paradeisanos, Ioannis. Excitons in atomically thin tungsten disulfide (WS2) layers.

Degree: 2018, University of Crete (UOC); Πανεπιστήμιο Κρήτης

Atomically thin tungsten disulfide (WS2) is a promising new material with excellent optoelectronic properties for future nanoelectronic systems. In this thesis, the spatial non-uniformity in… (more)

Subjects/Keywords: Εξιτόνια; Δισδιάστατα; Φωτοφωταύγεια; Ηλεκτρονική-δομή; Δισουλφίδιο-βολφραμίου; Excitons; 2D-materials; Photoluminescence; Electronic-structure; Tungsten-disulfide

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APA · Chicago · MLA · Vancouver · CSE | Export to Zotero / EndNote / Reference Manager

APA (6th Edition):

Paradeisanos, I. (2018). Excitons in atomically thin tungsten disulfide (WS2) layers. (Thesis). University of Crete (UOC); Πανεπιστήμιο Κρήτης. Retrieved from http://hdl.handle.net/10442/hedi/42773

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Chicago Manual of Style (16th Edition):

Paradeisanos, Ioannis. “Excitons in atomically thin tungsten disulfide (WS2) layers.” 2018. Thesis, University of Crete (UOC); Πανεπιστήμιο Κρήτης. Accessed August 20, 2019. http://hdl.handle.net/10442/hedi/42773.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

MLA Handbook (7th Edition):

Paradeisanos, Ioannis. “Excitons in atomically thin tungsten disulfide (WS2) layers.” 2018. Web. 20 Aug 2019.

Vancouver:

Paradeisanos I. Excitons in atomically thin tungsten disulfide (WS2) layers. [Internet] [Thesis]. University of Crete (UOC); Πανεπιστήμιο Κρήτης; 2018. [cited 2019 Aug 20]. Available from: http://hdl.handle.net/10442/hedi/42773.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Council of Science Editors:

Paradeisanos I. Excitons in atomically thin tungsten disulfide (WS2) layers. [Thesis]. University of Crete (UOC); Πανεπιστήμιο Κρήτης; 2018. Available from: http://hdl.handle.net/10442/hedi/42773

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

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