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You searched for +publisher:"University of Washington" +contributor:("Li, Xiaosong"). Showing records 1 – 11 of 11 total matches.

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University of Washington

1. Ding, Feizhi. Towards Efficient and Accurate Description of Many-Electron Problems: Developments of Static and Time-Dependent Electronic Structure Methods.

Degree: PhD, 2015, University of Washington

 Understanding electronic behavior in molecular and nano-scale systems is fundamental to the development and design of novel technologies and materials for application in a variety… (more)

Subjects/Keywords: Density Functional Theory; Electronic Structure Theory; Hartree-Fock; Many-electron dynamics; Multi-Configuration Self-Consistent Field Theory; Time-dependent; Chemistry; Physical chemistry; chemistry

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APA (6th Edition):

Ding, F. (2015). Towards Efficient and Accurate Description of Many-Electron Problems: Developments of Static and Time-Dependent Electronic Structure Methods. (Doctoral Dissertation). University of Washington. Retrieved from http://hdl.handle.net/1773/33655

Chicago Manual of Style (16th Edition):

Ding, Feizhi. “Towards Efficient and Accurate Description of Many-Electron Problems: Developments of Static and Time-Dependent Electronic Structure Methods.” 2015. Doctoral Dissertation, University of Washington. Accessed October 19, 2019. http://hdl.handle.net/1773/33655.

MLA Handbook (7th Edition):

Ding, Feizhi. “Towards Efficient and Accurate Description of Many-Electron Problems: Developments of Static and Time-Dependent Electronic Structure Methods.” 2015. Web. 19 Oct 2019.

Vancouver:

Ding F. Towards Efficient and Accurate Description of Many-Electron Problems: Developments of Static and Time-Dependent Electronic Structure Methods. [Internet] [Doctoral dissertation]. University of Washington; 2015. [cited 2019 Oct 19]. Available from: http://hdl.handle.net/1773/33655.

Council of Science Editors:

Ding F. Towards Efficient and Accurate Description of Many-Electron Problems: Developments of Static and Time-Dependent Electronic Structure Methods. [Doctoral Dissertation]. University of Washington; 2015. Available from: http://hdl.handle.net/1773/33655


University of Washington

2. Lestrange, Patrick Joseph. Modeling core excitations and preserving spin symmetry in molecular systems.

Degree: PhD, 2017, University of Washington

 This dissertation details work in two general areas: the modeling of X-ray absorption spectroscopy (XAS) and the spin symmetry in molecular simulations. The first chapter… (more)

Subjects/Keywords:

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APA (6th Edition):

Lestrange, P. J. (2017). Modeling core excitations and preserving spin symmetry in molecular systems. (Doctoral Dissertation). University of Washington. Retrieved from http://hdl.handle.net/1773/39983

Chicago Manual of Style (16th Edition):

Lestrange, Patrick Joseph. “Modeling core excitations and preserving spin symmetry in molecular systems.” 2017. Doctoral Dissertation, University of Washington. Accessed October 19, 2019. http://hdl.handle.net/1773/39983.

MLA Handbook (7th Edition):

Lestrange, Patrick Joseph. “Modeling core excitations and preserving spin symmetry in molecular systems.” 2017. Web. 19 Oct 2019.

Vancouver:

Lestrange PJ. Modeling core excitations and preserving spin symmetry in molecular systems. [Internet] [Doctoral dissertation]. University of Washington; 2017. [cited 2019 Oct 19]. Available from: http://hdl.handle.net/1773/39983.

Council of Science Editors:

Lestrange PJ. Modeling core excitations and preserving spin symmetry in molecular systems. [Doctoral Dissertation]. University of Washington; 2017. Available from: http://hdl.handle.net/1773/39983


University of Washington

3. Lingerfelt, David B. Excited State Chemical Dynamics: Beyond the Born-Oppenheimer Approximation.

Degree: PhD, 2017, University of Washington

 Herein, numerical approaches for describing the time evolution of molecular systems in nonequilibrium, and excited electronic states using the tools of non-adiabatic molecular dynamics will… (more)

Subjects/Keywords:

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APA (6th Edition):

Lingerfelt, D. B. (2017). Excited State Chemical Dynamics: Beyond the Born-Oppenheimer Approximation. (Doctoral Dissertation). University of Washington. Retrieved from http://hdl.handle.net/1773/39984

Chicago Manual of Style (16th Edition):

Lingerfelt, David B. “Excited State Chemical Dynamics: Beyond the Born-Oppenheimer Approximation.” 2017. Doctoral Dissertation, University of Washington. Accessed October 19, 2019. http://hdl.handle.net/1773/39984.

MLA Handbook (7th Edition):

Lingerfelt, David B. “Excited State Chemical Dynamics: Beyond the Born-Oppenheimer Approximation.” 2017. Web. 19 Oct 2019.

Vancouver:

Lingerfelt DB. Excited State Chemical Dynamics: Beyond the Born-Oppenheimer Approximation. [Internet] [Doctoral dissertation]. University of Washington; 2017. [cited 2019 Oct 19]. Available from: http://hdl.handle.net/1773/39984.

Council of Science Editors:

Lingerfelt DB. Excited State Chemical Dynamics: Beyond the Born-Oppenheimer Approximation. [Doctoral Dissertation]. University of Washington; 2017. Available from: http://hdl.handle.net/1773/39984


University of Washington

4. Goings, Joshua James. Breaking symmetry in time-dependent electronic structure theory to describe spectroscopic properties of non-collinear and chiral molecules.

Degree: PhD, 2017, University of Washington

 Time-dependent electronic structure theory has the power to predict and probe the ways electron dynamics leads to useful phenomena and spectroscopic data. Here we report… (more)

Subjects/Keywords: chiroptical; magnetism; non-collinear; spectroscopy; theoretical; time-dependent; Physical chemistry; Chemistry

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APA (6th Edition):

Goings, J. J. (2017). Breaking symmetry in time-dependent electronic structure theory to describe spectroscopic properties of non-collinear and chiral molecules. (Doctoral Dissertation). University of Washington. Retrieved from http://hdl.handle.net/1773/39985

Chicago Manual of Style (16th Edition):

Goings, Joshua James. “Breaking symmetry in time-dependent electronic structure theory to describe spectroscopic properties of non-collinear and chiral molecules.” 2017. Doctoral Dissertation, University of Washington. Accessed October 19, 2019. http://hdl.handle.net/1773/39985.

MLA Handbook (7th Edition):

Goings, Joshua James. “Breaking symmetry in time-dependent electronic structure theory to describe spectroscopic properties of non-collinear and chiral molecules.” 2017. Web. 19 Oct 2019.

Vancouver:

Goings JJ. Breaking symmetry in time-dependent electronic structure theory to describe spectroscopic properties of non-collinear and chiral molecules. [Internet] [Doctoral dissertation]. University of Washington; 2017. [cited 2019 Oct 19]. Available from: http://hdl.handle.net/1773/39985.

Council of Science Editors:

Goings JJ. Breaking symmetry in time-dependent electronic structure theory to describe spectroscopic properties of non-collinear and chiral molecules. [Doctoral Dissertation]. University of Washington; 2017. Available from: http://hdl.handle.net/1773/39985


University of Washington

5. 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 (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 October 19, 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. 19 Oct 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 Oct 19]. 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 Washington

6. Peng, Bo. Towards Accurate and Efficient Description of Excited States.

Degree: PhD, 2016, University of Washington

 The microscopic and molecular-level characterization and understanding of excited states properties and dynamics plays an important role in modern scientic research. Tremendous examples can be… (more)

Subjects/Keywords: Coupled-Cluster; Density Functional Theory; Excited States; Time-Dependent Density Functional Theory; Physical chemistry; chemistry

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APA (6th Edition):

Peng, B. (2016). Towards Accurate and Efficient Description of Excited States. (Doctoral Dissertation). University of Washington. Retrieved from http://hdl.handle.net/1773/36530

Chicago Manual of Style (16th Edition):

Peng, Bo. “Towards Accurate and Efficient Description of Excited States.” 2016. Doctoral Dissertation, University of Washington. Accessed October 19, 2019. http://hdl.handle.net/1773/36530.

MLA Handbook (7th Edition):

Peng, Bo. “Towards Accurate and Efficient Description of Excited States.” 2016. Web. 19 Oct 2019.

Vancouver:

Peng B. Towards Accurate and Efficient Description of Excited States. [Internet] [Doctoral dissertation]. University of Washington; 2016. [cited 2019 Oct 19]. Available from: http://hdl.handle.net/1773/36530.

Council of Science Editors:

Peng B. Towards Accurate and Efficient Description of Excited States. [Doctoral Dissertation]. University of Washington; 2016. Available from: http://hdl.handle.net/1773/36530


University of Washington

7. Chong, Erica Quan. Positive Encounters: An Investigative Study on the Effects of Interactions between Cations and Quantum Dots.

Degree: PhD, 2016, University of Washington

 Semiconductor nanocrystals, also known as quantum dots (QDs), have gained much popularity in recent years not only in the researching community but also in general… (more)

Subjects/Keywords: computational chemistry; quantum dots; rechargeable battery; Physical chemistry; chemistry

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APA (6th Edition):

Chong, E. Q. (2016). Positive Encounters: An Investigative Study on the Effects of Interactions between Cations and Quantum Dots. (Doctoral Dissertation). University of Washington. Retrieved from http://hdl.handle.net/1773/37059

Chicago Manual of Style (16th Edition):

Chong, Erica Quan. “Positive Encounters: An Investigative Study on the Effects of Interactions between Cations and Quantum Dots.” 2016. Doctoral Dissertation, University of Washington. Accessed October 19, 2019. http://hdl.handle.net/1773/37059.

MLA Handbook (7th Edition):

Chong, Erica Quan. “Positive Encounters: An Investigative Study on the Effects of Interactions between Cations and Quantum Dots.” 2016. Web. 19 Oct 2019.

Vancouver:

Chong EQ. Positive Encounters: An Investigative Study on the Effects of Interactions between Cations and Quantum Dots. [Internet] [Doctoral dissertation]. University of Washington; 2016. [cited 2019 Oct 19]. Available from: http://hdl.handle.net/1773/37059.

Council of Science Editors:

Chong EQ. Positive Encounters: An Investigative Study on the Effects of Interactions between Cations and Quantum Dots. [Doctoral Dissertation]. University of Washington; 2016. Available from: http://hdl.handle.net/1773/37059


University of Washington

8. Lehner, Jeremy Daniel. Computational Modeling of Dynamic Electron Paramagnetic Resonance Spectra.

Degree: PhD, 2019, University of Washington

 A comprehensive method is laid out for the solution of the stochastic Liouville equation to simulate spectral lineshapes for continuous-wave EPR spectra. The method is… (more)

Subjects/Keywords: EPR; rotational diffusion; simulation; slow-motion; spin; stochastic Liouville equation; Physical chemistry; Chemistry

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APA (6th Edition):

Lehner, J. D. (2019). Computational Modeling of Dynamic Electron Paramagnetic Resonance Spectra. (Doctoral Dissertation). University of Washington. Retrieved from http://hdl.handle.net/1773/43648

Chicago Manual of Style (16th Edition):

Lehner, Jeremy Daniel. “Computational Modeling of Dynamic Electron Paramagnetic Resonance Spectra.” 2019. Doctoral Dissertation, University of Washington. Accessed October 19, 2019. http://hdl.handle.net/1773/43648.

MLA Handbook (7th Edition):

Lehner, Jeremy Daniel. “Computational Modeling of Dynamic Electron Paramagnetic Resonance Spectra.” 2019. Web. 19 Oct 2019.

Vancouver:

Lehner JD. Computational Modeling of Dynamic Electron Paramagnetic Resonance Spectra. [Internet] [Doctoral dissertation]. University of Washington; 2019. [cited 2019 Oct 19]. Available from: http://hdl.handle.net/1773/43648.

Council of Science Editors:

Lehner JD. Computational Modeling of Dynamic Electron Paramagnetic Resonance Spectra. [Doctoral Dissertation]. University of Washington; 2019. Available from: http://hdl.handle.net/1773/43648

9. Liang, Wenkel. From Geometry Optimization to Time Dependent Molecular Structure Modeling: Method Developments, ab initio Theories and Applications.

Degree: PhD, 2012, University of Washington

 This dissertation consists of two general parts: I. developments of optimization algorithms (both nuclear and electronic degrees of freedom) for time-independent molecules and II. novel… (more)

Subjects/Keywords: ab initio; density functional theory; electronic structure; geometry optimization; molecular structure; time dependent; Physical chemistry; Computer science; Quantum physics; Chemistry

…degree. My work at the University of Washington has covered many topics in the realm of… 

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APA (6th Edition):

Liang, W. (2012). From Geometry Optimization to Time Dependent Molecular Structure Modeling: Method Developments, ab initio Theories and Applications. (Doctoral Dissertation). University of Washington. Retrieved from http://hdl.handle.net/1773/20611

Chicago Manual of Style (16th Edition):

Liang, Wenkel. “From Geometry Optimization to Time Dependent Molecular Structure Modeling: Method Developments, ab initio Theories and Applications.” 2012. Doctoral Dissertation, University of Washington. Accessed October 19, 2019. http://hdl.handle.net/1773/20611.

MLA Handbook (7th Edition):

Liang, Wenkel. “From Geometry Optimization to Time Dependent Molecular Structure Modeling: Method Developments, ab initio Theories and Applications.” 2012. Web. 19 Oct 2019.

Vancouver:

Liang W. From Geometry Optimization to Time Dependent Molecular Structure Modeling: Method Developments, ab initio Theories and Applications. [Internet] [Doctoral dissertation]. University of Washington; 2012. [cited 2019 Oct 19]. Available from: http://hdl.handle.net/1773/20611.

Council of Science Editors:

Liang W. From Geometry Optimization to Time Dependent Molecular Structure Modeling: Method Developments, ab initio Theories and Applications. [Doctoral Dissertation]. University of Washington; 2012. Available from: http://hdl.handle.net/1773/20611

10. May, Joseph William. Theoretical Insight into the Manipulation of the Optical and Magnetic Properties of Transition-Metal-doped II-VI Semiconductor Quantum Dots.

Degree: PhD, 2014, University of Washington

 The ability to tune the electronic, magnetic, and optical properties of II-VI semiconductor quantum dots (QDs) makes these materials ideal candidates in the fabrication of… (more)

Subjects/Keywords: charge transfer; density functional theory; dilute magnetic semiconductor; electronic structure; magnetic exchange; quantum dot; Chemistry; Materials Science; chemistry

…calculations would have been for nothing. As I leave the University of Washington to begin my career… 

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APA (6th Edition):

May, J. W. (2014). Theoretical Insight into the Manipulation of the Optical and Magnetic Properties of Transition-Metal-doped II-VI Semiconductor Quantum Dots. (Doctoral Dissertation). University of Washington. Retrieved from http://hdl.handle.net/1773/26406

Chicago Manual of Style (16th Edition):

May, Joseph William. “Theoretical Insight into the Manipulation of the Optical and Magnetic Properties of Transition-Metal-doped II-VI Semiconductor Quantum Dots.” 2014. Doctoral Dissertation, University of Washington. Accessed October 19, 2019. http://hdl.handle.net/1773/26406.

MLA Handbook (7th Edition):

May, Joseph William. “Theoretical Insight into the Manipulation of the Optical and Magnetic Properties of Transition-Metal-doped II-VI Semiconductor Quantum Dots.” 2014. Web. 19 Oct 2019.

Vancouver:

May JW. Theoretical Insight into the Manipulation of the Optical and Magnetic Properties of Transition-Metal-doped II-VI Semiconductor Quantum Dots. [Internet] [Doctoral dissertation]. University of Washington; 2014. [cited 2019 Oct 19]. Available from: http://hdl.handle.net/1773/26406.

Council of Science Editors:

May JW. Theoretical Insight into the Manipulation of the Optical and Magnetic Properties of Transition-Metal-doped II-VI Semiconductor Quantum Dots. [Doctoral Dissertation]. University of Washington; 2014. Available from: http://hdl.handle.net/1773/26406

11. Fischer, Sean. Hopping Around: Development of Methods for the Simulation of Non-Adiabatic Dynamics in Large Molecular Systems.

Degree: PhD, 2013, University of Washington

 Non-adiabatic molecular dynamics methods have been developed for the calculation of charge carrier dynamics, with a focus on large molecular and materials systems. These methods… (more)

Subjects/Keywords: molecular dynamics; non-adiabatic; quantum dots; solar cells; Physical chemistry; chemistry

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APA (6th Edition):

Fischer, S. (2013). Hopping Around: Development of Methods for the Simulation of Non-Adiabatic Dynamics in Large Molecular Systems. (Doctoral Dissertation). University of Washington. Retrieved from http://hdl.handle.net/1773/22863

Chicago Manual of Style (16th Edition):

Fischer, Sean. “Hopping Around: Development of Methods for the Simulation of Non-Adiabatic Dynamics in Large Molecular Systems.” 2013. Doctoral Dissertation, University of Washington. Accessed October 19, 2019. http://hdl.handle.net/1773/22863.

MLA Handbook (7th Edition):

Fischer, Sean. “Hopping Around: Development of Methods for the Simulation of Non-Adiabatic Dynamics in Large Molecular Systems.” 2013. Web. 19 Oct 2019.

Vancouver:

Fischer S. Hopping Around: Development of Methods for the Simulation of Non-Adiabatic Dynamics in Large Molecular Systems. [Internet] [Doctoral dissertation]. University of Washington; 2013. [cited 2019 Oct 19]. Available from: http://hdl.handle.net/1773/22863.

Council of Science Editors:

Fischer S. Hopping Around: Development of Methods for the Simulation of Non-Adiabatic Dynamics in Large Molecular Systems. [Doctoral Dissertation]. University of Washington; 2013. Available from: http://hdl.handle.net/1773/22863

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