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You searched for subject:(molecular dynamics simulation). Showing records 1 – 30 of 621 total matches.

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University of Alberta

1. Zhou,Yang. Molecular Dynamics Study of A Water Soluble, Upper Critical Solution Temperature Polymer.

Degree: MS, Department of Chemical and Materials Engineering, 2014, University of Alberta

 Thermo-responsive polymers have been the subject of research in academic and applied science over the past few decades. Among them, water-soluble thermo-responsive polymers draw most… (more)

Subjects/Keywords: Molecular dynamics simulation

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APA (6th Edition):

Zhou,Yang. (2014). Molecular Dynamics Study of A Water Soluble, Upper Critical Solution Temperature Polymer. (Masters Thesis). University of Alberta. Retrieved from https://era.library.ualberta.ca/files/rb68xf375

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

Chicago Manual of Style (16th Edition):

Zhou,Yang. “Molecular Dynamics Study of A Water Soluble, Upper Critical Solution Temperature Polymer.” 2014. Masters Thesis, University of Alberta. Accessed March 01, 2021. https://era.library.ualberta.ca/files/rb68xf375.

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

MLA Handbook (7th Edition):

Zhou,Yang. “Molecular Dynamics Study of A Water Soluble, Upper Critical Solution Temperature Polymer.” 2014. Web. 01 Mar 2021.

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

Vancouver:

Zhou,Yang. Molecular Dynamics Study of A Water Soluble, Upper Critical Solution Temperature Polymer. [Internet] [Masters thesis]. University of Alberta; 2014. [cited 2021 Mar 01]. Available from: https://era.library.ualberta.ca/files/rb68xf375.

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

Council of Science Editors:

Zhou,Yang. Molecular Dynamics Study of A Water Soluble, Upper Critical Solution Temperature Polymer. [Masters Thesis]. University of Alberta; 2014. Available from: https://era.library.ualberta.ca/files/rb68xf375

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


University of Manitoba

2. Wei, Aoran. Adsorption of protein on a au surface studied by all-atom atomistic simulations.

Degree: Mechanical Engineering, 2016, University of Manitoba

 In this work, the adsorption of protein on Au surface coated by self-assembled monolayers (SAMs) of alkanethiol chains is studied by molecular dynamics simulations with… (more)

Subjects/Keywords: Molecular Dynamics simulation; Materials Science

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APA (6th Edition):

Wei, A. (2016). Adsorption of protein on a au surface studied by all-atom atomistic simulations. (Masters Thesis). University of Manitoba. Retrieved from http://hdl.handle.net/1993/31807

Chicago Manual of Style (16th Edition):

Wei, Aoran. “Adsorption of protein on a au surface studied by all-atom atomistic simulations.” 2016. Masters Thesis, University of Manitoba. Accessed March 01, 2021. http://hdl.handle.net/1993/31807.

MLA Handbook (7th Edition):

Wei, Aoran. “Adsorption of protein on a au surface studied by all-atom atomistic simulations.” 2016. Web. 01 Mar 2021.

Vancouver:

Wei A. Adsorption of protein on a au surface studied by all-atom atomistic simulations. [Internet] [Masters thesis]. University of Manitoba; 2016. [cited 2021 Mar 01]. Available from: http://hdl.handle.net/1993/31807.

Council of Science Editors:

Wei A. Adsorption of protein on a au surface studied by all-atom atomistic simulations. [Masters Thesis]. University of Manitoba; 2016. Available from: http://hdl.handle.net/1993/31807


Hong Kong University of Science and Technology

3. Sun, Sheng. Molecular dynamics simulations of phospholipids in water under external electric field.

Degree: 2011, Hong Kong University of Science and Technology

 Phospholipids, the main components of cell membranes, are amphiphilic molecules and can form bilayer membrane structure spontaneously in water. Cell membrane provides an barrier against… (more)

Subjects/Keywords: Phospholipids ; Molecular dynamics  – Computer simulation

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APA (6th Edition):

Sun, S. (2011). Molecular dynamics simulations of phospholipids in water under external electric field. (Thesis). Hong Kong University of Science and Technology. Retrieved from http://repository.ust.hk/ir/Record/1783.1-7300 ; https://doi.org/10.14711/thesis-b1155752 ; http://repository.ust.hk/ir/bitstream/1783.1-7300/1/th_redirect.html

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):

Sun, Sheng. “Molecular dynamics simulations of phospholipids in water under external electric field.” 2011. Thesis, Hong Kong University of Science and Technology. Accessed March 01, 2021. http://repository.ust.hk/ir/Record/1783.1-7300 ; https://doi.org/10.14711/thesis-b1155752 ; http://repository.ust.hk/ir/bitstream/1783.1-7300/1/th_redirect.html.

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

MLA Handbook (7th Edition):

Sun, Sheng. “Molecular dynamics simulations of phospholipids in water under external electric field.” 2011. Web. 01 Mar 2021.

Vancouver:

Sun S. Molecular dynamics simulations of phospholipids in water under external electric field. [Internet] [Thesis]. Hong Kong University of Science and Technology; 2011. [cited 2021 Mar 01]. Available from: http://repository.ust.hk/ir/Record/1783.1-7300 ; https://doi.org/10.14711/thesis-b1155752 ; http://repository.ust.hk/ir/bitstream/1783.1-7300/1/th_redirect.html.

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

Council of Science Editors:

Sun S. Molecular dynamics simulations of phospholipids in water under external electric field. [Thesis]. Hong Kong University of Science and Technology; 2011. Available from: http://repository.ust.hk/ir/Record/1783.1-7300 ; https://doi.org/10.14711/thesis-b1155752 ; http://repository.ust.hk/ir/bitstream/1783.1-7300/1/th_redirect.html

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


Texas Tech University

4. Alwarawrah, Mohammad. Study of lipid raft domains using computer simulation techniques.

Degree: Physics, 2012, Texas Tech University

 The cholesterol condensing effect in DOPC bilayer was investigated via atomistic molecular dynamics (MD) simulation. The calculated partial-specific areas of lipids in DOPC/cholesterol lipid bilayer… (more)

Subjects/Keywords: Molecular dynamics simulation; Cholesterol; Diglycerides

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APA (6th Edition):

Alwarawrah, M. (2012). Study of lipid raft domains using computer simulation techniques. (Thesis). Texas Tech University. Retrieved from http://hdl.handle.net/2346/45154

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):

Alwarawrah, Mohammad. “Study of lipid raft domains using computer simulation techniques.” 2012. Thesis, Texas Tech University. Accessed March 01, 2021. http://hdl.handle.net/2346/45154.

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

MLA Handbook (7th Edition):

Alwarawrah, Mohammad. “Study of lipid raft domains using computer simulation techniques.” 2012. Web. 01 Mar 2021.

Vancouver:

Alwarawrah M. Study of lipid raft domains using computer simulation techniques. [Internet] [Thesis]. Texas Tech University; 2012. [cited 2021 Mar 01]. Available from: http://hdl.handle.net/2346/45154.

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

Council of Science Editors:

Alwarawrah M. Study of lipid raft domains using computer simulation techniques. [Thesis]. Texas Tech University; 2012. Available from: http://hdl.handle.net/2346/45154

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


Michigan State University

5. Sayadi, Maryam. Molecular dynamics simulation of membrane peptides with an implicit membrane model.

Degree: 2013, Michigan State University

Thesis Ph. D. Michigan State University. Chemistry 2013.

Molecular dynamics simulation is a powerful technique to study structure and function of biological systems. Over the… (more)

Subjects/Keywords: Molecular dynamics – Computer simulation; Chemistry

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APA (6th Edition):

Sayadi, M. (2013). Molecular dynamics simulation of membrane peptides with an implicit membrane model. (Thesis). Michigan State University. Retrieved from http://etd.lib.msu.edu/islandora/object/etd:590

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):

Sayadi, Maryam. “Molecular dynamics simulation of membrane peptides with an implicit membrane model.” 2013. Thesis, Michigan State University. Accessed March 01, 2021. http://etd.lib.msu.edu/islandora/object/etd:590.

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

MLA Handbook (7th Edition):

Sayadi, Maryam. “Molecular dynamics simulation of membrane peptides with an implicit membrane model.” 2013. Web. 01 Mar 2021.

Vancouver:

Sayadi M. Molecular dynamics simulation of membrane peptides with an implicit membrane model. [Internet] [Thesis]. Michigan State University; 2013. [cited 2021 Mar 01]. Available from: http://etd.lib.msu.edu/islandora/object/etd:590.

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

Council of Science Editors:

Sayadi M. Molecular dynamics simulation of membrane peptides with an implicit membrane model. [Thesis]. Michigan State University; 2013. Available from: http://etd.lib.msu.edu/islandora/object/etd:590

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


Vanderbilt University

6. Yang, Alexander Hao. Molecular Simulation Studies of Lipid Bilayers and Biomolecular Coatings for Water Barrier and Biocompatibility Purposes.

Degree: PhD, Chemical Engineering, 2020, Vanderbilt University

 Lipid bilayers occupying the gel and fluid phases are examined using molecular dynamics simulation. Molecular dynamics simulations of gel-phase bilayers comprised of varying compositions of… (more)

Subjects/Keywords: molecular simulation; lipid bilayer; molecular dynamics

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APA (6th Edition):

Yang, A. H. (2020). Molecular Simulation Studies of Lipid Bilayers and Biomolecular Coatings for Water Barrier and Biocompatibility Purposes. (Doctoral Dissertation). Vanderbilt University. Retrieved from http://hdl.handle.net/1803/10442

Chicago Manual of Style (16th Edition):

Yang, Alexander Hao. “Molecular Simulation Studies of Lipid Bilayers and Biomolecular Coatings for Water Barrier and Biocompatibility Purposes.” 2020. Doctoral Dissertation, Vanderbilt University. Accessed March 01, 2021. http://hdl.handle.net/1803/10442.

MLA Handbook (7th Edition):

Yang, Alexander Hao. “Molecular Simulation Studies of Lipid Bilayers and Biomolecular Coatings for Water Barrier and Biocompatibility Purposes.” 2020. Web. 01 Mar 2021.

Vancouver:

Yang AH. Molecular Simulation Studies of Lipid Bilayers and Biomolecular Coatings for Water Barrier and Biocompatibility Purposes. [Internet] [Doctoral dissertation]. Vanderbilt University; 2020. [cited 2021 Mar 01]. Available from: http://hdl.handle.net/1803/10442.

Council of Science Editors:

Yang AH. Molecular Simulation Studies of Lipid Bilayers and Biomolecular Coatings for Water Barrier and Biocompatibility Purposes. [Doctoral Dissertation]. Vanderbilt University; 2020. Available from: http://hdl.handle.net/1803/10442

7. Xu, Yao. Molecular Dynamics Simulation Studies on Interfacial Dynamics of Proteins.

Degree: 2013, University of Nevada – Reno

 Clusters of water molecules embedded in proteins or at the interface between globules mediate protein dynamics, allostery and charge transfer. Confined clusters of water molecules… (more)

Subjects/Keywords: Molecular Dynamics; Molecular Dynamics Simulation; Protein Dynamics; Protein-water Interactions; Vibrational Energy Flow; Water Dynamics

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APA (6th Edition):

Xu, Y. (2013). Molecular Dynamics Simulation Studies on Interfacial Dynamics of Proteins. (Thesis). University of Nevada – Reno. Retrieved from http://hdl.handle.net/11714/3115

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):

Xu, Yao. “Molecular Dynamics Simulation Studies on Interfacial Dynamics of Proteins.” 2013. Thesis, University of Nevada – Reno. Accessed March 01, 2021. http://hdl.handle.net/11714/3115.

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

MLA Handbook (7th Edition):

Xu, Yao. “Molecular Dynamics Simulation Studies on Interfacial Dynamics of Proteins.” 2013. Web. 01 Mar 2021.

Vancouver:

Xu Y. Molecular Dynamics Simulation Studies on Interfacial Dynamics of Proteins. [Internet] [Thesis]. University of Nevada – Reno; 2013. [cited 2021 Mar 01]. Available from: http://hdl.handle.net/11714/3115.

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

Council of Science Editors:

Xu Y. Molecular Dynamics Simulation Studies on Interfacial Dynamics of Proteins. [Thesis]. University of Nevada – Reno; 2013. Available from: http://hdl.handle.net/11714/3115

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


Michigan State University

8. Jin, Chi. Development of molecular dynamics force field of YOPRO-1 and deep learning models for protein classification.

Degree: 2019, Michigan State University

Thesis Ph. D. Michigan State University. Chemistry 2019

Cyanine dyes, such as Oxazole yellow (YOPRO), are almost non-fluorescent in water but their fluorescence is greatly… (more)

Subjects/Keywords: Proteins – Classification; Molecular dynamics; Molecular dynamics – Simulation methods; Chemistry

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APA (6th Edition):

Jin, C. (2019). Development of molecular dynamics force field of YOPRO-1 and deep learning models for protein classification. (Thesis). Michigan State University. Retrieved from http://etd.lib.msu.edu/islandora/object/etd:47935

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):

Jin, Chi. “Development of molecular dynamics force field of YOPRO-1 and deep learning models for protein classification.” 2019. Thesis, Michigan State University. Accessed March 01, 2021. http://etd.lib.msu.edu/islandora/object/etd:47935.

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

MLA Handbook (7th Edition):

Jin, Chi. “Development of molecular dynamics force field of YOPRO-1 and deep learning models for protein classification.” 2019. Web. 01 Mar 2021.

Vancouver:

Jin C. Development of molecular dynamics force field of YOPRO-1 and deep learning models for protein classification. [Internet] [Thesis]. Michigan State University; 2019. [cited 2021 Mar 01]. Available from: http://etd.lib.msu.edu/islandora/object/etd:47935.

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

Council of Science Editors:

Jin C. Development of molecular dynamics force field of YOPRO-1 and deep learning models for protein classification. [Thesis]. Michigan State University; 2019. Available from: http://etd.lib.msu.edu/islandora/object/etd:47935

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


University of Illinois – Urbana-Champaign

9. Liu, Bo. Investigating translational control of the ribosome using molecular dynamics simulations.

Degree: PhD, Biophysics & Computnl Biology, 2016, University of Illinois – Urbana-Champaign

 The ribosome is one of the most basic cellular machines and is ubiquitous in all living cells, responsible for the translation of genes into functional… (more)

Subjects/Keywords: ribosome; antibiotic; molecular dynamics simulation; molecular dynamics flexible fitting; translation control

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APA (6th Edition):

Liu, B. (2016). Investigating translational control of the ribosome using molecular dynamics simulations. (Doctoral Dissertation). University of Illinois – Urbana-Champaign. Retrieved from http://hdl.handle.net/2142/92991

Chicago Manual of Style (16th Edition):

Liu, Bo. “Investigating translational control of the ribosome using molecular dynamics simulations.” 2016. Doctoral Dissertation, University of Illinois – Urbana-Champaign. Accessed March 01, 2021. http://hdl.handle.net/2142/92991.

MLA Handbook (7th Edition):

Liu, Bo. “Investigating translational control of the ribosome using molecular dynamics simulations.” 2016. Web. 01 Mar 2021.

Vancouver:

Liu B. Investigating translational control of the ribosome using molecular dynamics simulations. [Internet] [Doctoral dissertation]. University of Illinois – Urbana-Champaign; 2016. [cited 2021 Mar 01]. Available from: http://hdl.handle.net/2142/92991.

Council of Science Editors:

Liu B. Investigating translational control of the ribosome using molecular dynamics simulations. [Doctoral Dissertation]. University of Illinois – Urbana-Champaign; 2016. Available from: http://hdl.handle.net/2142/92991


Rhodes University

10. Novokoza, Yolanda. Prediction of mass spectra for natural products using an ab initio approach.

Degree: Faculty of Science, Biochemistry and Microbiology, 2020, Rhodes University

 Mass spectrometry (MS) is a technique that measures the fragmentation of molecules, dependent on the molecule’s chemical composition and structure, by first introducing a charge… (more)

Subjects/Keywords: Molecular dynamics; Molecular dynamics  – Computer simulation; Mass spectroscopy; Electron impact ionization

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APA (6th Edition):

Novokoza, Y. (2020). Prediction of mass spectra for natural products using an ab initio approach. (Thesis). Rhodes University. Retrieved from http://hdl.handle.net/10962/167166

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):

Novokoza, Yolanda. “Prediction of mass spectra for natural products using an ab initio approach.” 2020. Thesis, Rhodes University. Accessed March 01, 2021. http://hdl.handle.net/10962/167166.

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

MLA Handbook (7th Edition):

Novokoza, Yolanda. “Prediction of mass spectra for natural products using an ab initio approach.” 2020. Web. 01 Mar 2021.

Vancouver:

Novokoza Y. Prediction of mass spectra for natural products using an ab initio approach. [Internet] [Thesis]. Rhodes University; 2020. [cited 2021 Mar 01]. Available from: http://hdl.handle.net/10962/167166.

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

Council of Science Editors:

Novokoza Y. Prediction of mass spectra for natural products using an ab initio approach. [Thesis]. Rhodes University; 2020. Available from: http://hdl.handle.net/10962/167166

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

11. Zhao, Wei. Molecular Modeling of Charged Membrane Systems.

Degree: 2006, Helsinki University of Technology

We have performed molecular modeling of membrane systems by employing the classical molecular dynamics method and force field parameterizations. In this thesis, our main interest… (more)

Subjects/Keywords: computer simulation; molecular dynamics; electrostatics; soft matter

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APA (6th Edition):

Zhao, W. (2006). Molecular Modeling of Charged Membrane Systems. (Thesis). Helsinki University of Technology. Retrieved from http://lib.tkk.fi/Diss/2006/isbn9512284669/

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):

Zhao, Wei. “Molecular Modeling of Charged Membrane Systems.” 2006. Thesis, Helsinki University of Technology. Accessed March 01, 2021. http://lib.tkk.fi/Diss/2006/isbn9512284669/.

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

MLA Handbook (7th Edition):

Zhao, Wei. “Molecular Modeling of Charged Membrane Systems.” 2006. Web. 01 Mar 2021.

Vancouver:

Zhao W. Molecular Modeling of Charged Membrane Systems. [Internet] [Thesis]. Helsinki University of Technology; 2006. [cited 2021 Mar 01]. Available from: http://lib.tkk.fi/Diss/2006/isbn9512284669/.

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

Council of Science Editors:

Zhao W. Molecular Modeling of Charged Membrane Systems. [Thesis]. Helsinki University of Technology; 2006. Available from: http://lib.tkk.fi/Diss/2006/isbn9512284669/

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


University of Alberta

12. Yan, Xinan. Identification of atomistic mechanisms for grain boundary migration in [001] twist boundaries: molecular dynamics simulations.

Degree: MS, Department of Chemical and Materials Engineering, 2009, University of Alberta

 In this thesis, molecular dynamics simulations were performed to characterize the atomic motions governing grain boundary migration in a series of [001] twist boundaries. Particularly,… (more)

Subjects/Keywords: mechanism; grain boundary migration; molecular dynamics simulation

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APA (6th Edition):

Yan, X. (2009). Identification of atomistic mechanisms for grain boundary migration in [001] twist boundaries: molecular dynamics simulations. (Masters Thesis). University of Alberta. Retrieved from https://era.library.ualberta.ca/files/nc580m86b

Chicago Manual of Style (16th Edition):

Yan, Xinan. “Identification of atomistic mechanisms for grain boundary migration in [001] twist boundaries: molecular dynamics simulations.” 2009. Masters Thesis, University of Alberta. Accessed March 01, 2021. https://era.library.ualberta.ca/files/nc580m86b.

MLA Handbook (7th Edition):

Yan, Xinan. “Identification of atomistic mechanisms for grain boundary migration in [001] twist boundaries: molecular dynamics simulations.” 2009. Web. 01 Mar 2021.

Vancouver:

Yan X. Identification of atomistic mechanisms for grain boundary migration in [001] twist boundaries: molecular dynamics simulations. [Internet] [Masters thesis]. University of Alberta; 2009. [cited 2021 Mar 01]. Available from: https://era.library.ualberta.ca/files/nc580m86b.

Council of Science Editors:

Yan X. Identification of atomistic mechanisms for grain boundary migration in [001] twist boundaries: molecular dynamics simulations. [Masters Thesis]. University of Alberta; 2009. Available from: https://era.library.ualberta.ca/files/nc580m86b


University of Alberta

13. Zhu, Di. A molecular dynamics simulation study on Bauschinger’s effect in nano-scaled Cu systems with and without interfaces.

Degree: MS, Department of Chemical and Materials Engineering, 2012, University of Alberta

 Employing the molecular dynamics simulation method, we investigated the responses of nano-scaled Cu systems, including single crystal(SC), and crystals with twin boundaries(TW) and grain boundaries(GB)… (more)

Subjects/Keywords: nanoscaled copper; Bauschinger’s effect; Molecular dynamics simulation

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APA (6th Edition):

Zhu, D. (2012). A molecular dynamics simulation study on Bauschinger’s effect in nano-scaled Cu systems with and without interfaces. (Masters Thesis). University of Alberta. Retrieved from https://era.library.ualberta.ca/files/nk322f51x

Chicago Manual of Style (16th Edition):

Zhu, Di. “A molecular dynamics simulation study on Bauschinger’s effect in nano-scaled Cu systems with and without interfaces.” 2012. Masters Thesis, University of Alberta. Accessed March 01, 2021. https://era.library.ualberta.ca/files/nk322f51x.

MLA Handbook (7th Edition):

Zhu, Di. “A molecular dynamics simulation study on Bauschinger’s effect in nano-scaled Cu systems with and without interfaces.” 2012. Web. 01 Mar 2021.

Vancouver:

Zhu D. A molecular dynamics simulation study on Bauschinger’s effect in nano-scaled Cu systems with and without interfaces. [Internet] [Masters thesis]. University of Alberta; 2012. [cited 2021 Mar 01]. Available from: https://era.library.ualberta.ca/files/nk322f51x.

Council of Science Editors:

Zhu D. A molecular dynamics simulation study on Bauschinger’s effect in nano-scaled Cu systems with and without interfaces. [Masters Thesis]. University of Alberta; 2012. Available from: https://era.library.ualberta.ca/files/nk322f51x


University of Alberta

14. Szewczyk, Paulina. Study of the phase behavior of triacylglycerols using molecular dynamics simulation.

Degree: MSIn Chemical Engineering, Department of Chemical and Materials Engineering, 2010, University of Alberta

 In the present work, we focused our attention on triacylglycerols. Their phase behavior strongly influences production processes of products based on fats and oils. However,… (more)

Subjects/Keywords: dynamics; triacylglycerols; phase; molecular; behavior; simulation

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APA (6th Edition):

Szewczyk, P. (2010). Study of the phase behavior of triacylglycerols using molecular dynamics simulation. (Masters Thesis). University of Alberta. Retrieved from https://era.library.ualberta.ca/files/5m60qt25g

Chicago Manual of Style (16th Edition):

Szewczyk, Paulina. “Study of the phase behavior of triacylglycerols using molecular dynamics simulation.” 2010. Masters Thesis, University of Alberta. Accessed March 01, 2021. https://era.library.ualberta.ca/files/5m60qt25g.

MLA Handbook (7th Edition):

Szewczyk, Paulina. “Study of the phase behavior of triacylglycerols using molecular dynamics simulation.” 2010. Web. 01 Mar 2021.

Vancouver:

Szewczyk P. Study of the phase behavior of triacylglycerols using molecular dynamics simulation. [Internet] [Masters thesis]. University of Alberta; 2010. [cited 2021 Mar 01]. Available from: https://era.library.ualberta.ca/files/5m60qt25g.

Council of Science Editors:

Szewczyk P. Study of the phase behavior of triacylglycerols using molecular dynamics simulation. [Masters Thesis]. University of Alberta; 2010. Available from: https://era.library.ualberta.ca/files/5m60qt25g


Cornell University

15. Nguyen, Linh. Atomistic Simulations And Modeling Of Deformation Mechanisms In Aluminum Under Experimental Conditions.

Degree: PhD, Applied Physics, 2013, Cornell University

 Atomistic simulations have been widely used to study deformation mechanisms of plasticity in metals and alloys. While being very effective for illuminating the controlling mechanisms… (more)

Subjects/Keywords: dislocation; transition state theory; molecular dynamics simulation

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APA (6th Edition):

Nguyen, L. (2013). Atomistic Simulations And Modeling Of Deformation Mechanisms In Aluminum Under Experimental Conditions. (Doctoral Dissertation). Cornell University. Retrieved from http://hdl.handle.net/1813/33894

Chicago Manual of Style (16th Edition):

Nguyen, Linh. “Atomistic Simulations And Modeling Of Deformation Mechanisms In Aluminum Under Experimental Conditions.” 2013. Doctoral Dissertation, Cornell University. Accessed March 01, 2021. http://hdl.handle.net/1813/33894.

MLA Handbook (7th Edition):

Nguyen, Linh. “Atomistic Simulations And Modeling Of Deformation Mechanisms In Aluminum Under Experimental Conditions.” 2013. Web. 01 Mar 2021.

Vancouver:

Nguyen L. Atomistic Simulations And Modeling Of Deformation Mechanisms In Aluminum Under Experimental Conditions. [Internet] [Doctoral dissertation]. Cornell University; 2013. [cited 2021 Mar 01]. Available from: http://hdl.handle.net/1813/33894.

Council of Science Editors:

Nguyen L. Atomistic Simulations And Modeling Of Deformation Mechanisms In Aluminum Under Experimental Conditions. [Doctoral Dissertation]. Cornell University; 2013. Available from: http://hdl.handle.net/1813/33894


Vanderbilt University

16. Lewis, James Benjamin. Investigation of Frictional Properties in Pure and Mixed Fluorocarbon/Hydrocarbon Monolayers by Molecular Simulations.

Degree: PhD, Chemical Engineering, 2012, Vanderbilt University

 Due to small surface area to volume ratios, nanoscale devices can exhibit dominant surface forces that can quickly degrade un-lubricated contacting surfaces. While fluorinated materials… (more)

Subjects/Keywords: simulation; fluorocarbon; hydrocarbon; monolayer; friction; molecular dynamics

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APA (6th Edition):

Lewis, J. B. (2012). Investigation of Frictional Properties in Pure and Mixed Fluorocarbon/Hydrocarbon Monolayers by Molecular Simulations. (Doctoral Dissertation). Vanderbilt University. Retrieved from http://hdl.handle.net/1803/14830

Chicago Manual of Style (16th Edition):

Lewis, James Benjamin. “Investigation of Frictional Properties in Pure and Mixed Fluorocarbon/Hydrocarbon Monolayers by Molecular Simulations.” 2012. Doctoral Dissertation, Vanderbilt University. Accessed March 01, 2021. http://hdl.handle.net/1803/14830.

MLA Handbook (7th Edition):

Lewis, James Benjamin. “Investigation of Frictional Properties in Pure and Mixed Fluorocarbon/Hydrocarbon Monolayers by Molecular Simulations.” 2012. Web. 01 Mar 2021.

Vancouver:

Lewis JB. Investigation of Frictional Properties in Pure and Mixed Fluorocarbon/Hydrocarbon Monolayers by Molecular Simulations. [Internet] [Doctoral dissertation]. Vanderbilt University; 2012. [cited 2021 Mar 01]. Available from: http://hdl.handle.net/1803/14830.

Council of Science Editors:

Lewis JB. Investigation of Frictional Properties in Pure and Mixed Fluorocarbon/Hydrocarbon Monolayers by Molecular Simulations. [Doctoral Dissertation]. Vanderbilt University; 2012. Available from: http://hdl.handle.net/1803/14830


Penn State University

17. Fortunato, Michael Edward. Immunoglobulin G: Solution Dynamics, Carbohydrate Structure, and Self-association From Atomistic and Coarse-grained Simulations.

Degree: 2015, Penn State University

 Immunoglobulin molecules are extremely effective at providing protection from foreign molecules or viruses; however, in certain cases the naturally occurring immune system cannot provide adequate… (more)

Subjects/Keywords: IgG; protein; simulation; molecular; dynamics; carbohydrate

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APA (6th Edition):

Fortunato, M. E. (2015). Immunoglobulin G: Solution Dynamics, Carbohydrate Structure, and Self-association From Atomistic and Coarse-grained Simulations. (Thesis). Penn State University. Retrieved from https://submit-etda.libraries.psu.edu/catalog/24261

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):

Fortunato, Michael Edward. “Immunoglobulin G: Solution Dynamics, Carbohydrate Structure, and Self-association From Atomistic and Coarse-grained Simulations.” 2015. Thesis, Penn State University. Accessed March 01, 2021. https://submit-etda.libraries.psu.edu/catalog/24261.

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

MLA Handbook (7th Edition):

Fortunato, Michael Edward. “Immunoglobulin G: Solution Dynamics, Carbohydrate Structure, and Self-association From Atomistic and Coarse-grained Simulations.” 2015. Web. 01 Mar 2021.

Vancouver:

Fortunato ME. Immunoglobulin G: Solution Dynamics, Carbohydrate Structure, and Self-association From Atomistic and Coarse-grained Simulations. [Internet] [Thesis]. Penn State University; 2015. [cited 2021 Mar 01]. Available from: https://submit-etda.libraries.psu.edu/catalog/24261.

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

Council of Science Editors:

Fortunato ME. Immunoglobulin G: Solution Dynamics, Carbohydrate Structure, and Self-association From Atomistic and Coarse-grained Simulations. [Thesis]. Penn State University; 2015. Available from: https://submit-etda.libraries.psu.edu/catalog/24261

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


Penn State University

18. Rahnamoun, Ali. STUDY OF PERFORMANCE AND CHARACTERISTICS OF MATERIALS UNDER EXTREME ENVIRONMENT USING THE REAXFF REACTIVE MOLECULAR DYNAMICS SIMULATIONS.

Degree: 2016, Penn State University

 The primary focus of this work is the study of different materials at extreme environment. These extreme environments include Atomic Oxygen (AO) impacts, ice cluster… (more)

Subjects/Keywords: Molecular Dynamics; ReaxFF; Material Simulation; Extreme Environment

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APA (6th Edition):

Rahnamoun, A. (2016). STUDY OF PERFORMANCE AND CHARACTERISTICS OF MATERIALS UNDER EXTREME ENVIRONMENT USING THE REAXFF REACTIVE MOLECULAR DYNAMICS SIMULATIONS. (Thesis). Penn State University. Retrieved from https://submit-etda.libraries.psu.edu/catalog/zc77sq096

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):

Rahnamoun, Ali. “STUDY OF PERFORMANCE AND CHARACTERISTICS OF MATERIALS UNDER EXTREME ENVIRONMENT USING THE REAXFF REACTIVE MOLECULAR DYNAMICS SIMULATIONS.” 2016. Thesis, Penn State University. Accessed March 01, 2021. https://submit-etda.libraries.psu.edu/catalog/zc77sq096.

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

MLA Handbook (7th Edition):

Rahnamoun, Ali. “STUDY OF PERFORMANCE AND CHARACTERISTICS OF MATERIALS UNDER EXTREME ENVIRONMENT USING THE REAXFF REACTIVE MOLECULAR DYNAMICS SIMULATIONS.” 2016. Web. 01 Mar 2021.

Vancouver:

Rahnamoun A. STUDY OF PERFORMANCE AND CHARACTERISTICS OF MATERIALS UNDER EXTREME ENVIRONMENT USING THE REAXFF REACTIVE MOLECULAR DYNAMICS SIMULATIONS. [Internet] [Thesis]. Penn State University; 2016. [cited 2021 Mar 01]. Available from: https://submit-etda.libraries.psu.edu/catalog/zc77sq096.

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

Council of Science Editors:

Rahnamoun A. STUDY OF PERFORMANCE AND CHARACTERISTICS OF MATERIALS UNDER EXTREME ENVIRONMENT USING THE REAXFF REACTIVE MOLECULAR DYNAMICS SIMULATIONS. [Thesis]. Penn State University; 2016. Available from: https://submit-etda.libraries.psu.edu/catalog/zc77sq096

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


University of Wollongong

19. Zheng, Xuan. Molecular dynamics simulation of boundary lubricated contacts.

Degree: PhD, 2014, University of Wollongong

  Boundary lubrication involves asperity contact and confined lubricant support. To understand the molecular origin of the friction and lubrication in boundary lubrication, it is… (more)

Subjects/Keywords: molecular dynamics simulation; mixed lubrication; roughness

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APA (6th Edition):

Zheng, X. (2014). Molecular dynamics simulation of boundary lubricated contacts. (Doctoral Dissertation). University of Wollongong. Retrieved from ; https://ro.uow.edu.au/theses/4170

Chicago Manual of Style (16th Edition):

Zheng, Xuan. “Molecular dynamics simulation of boundary lubricated contacts.” 2014. Doctoral Dissertation, University of Wollongong. Accessed March 01, 2021. ; https://ro.uow.edu.au/theses/4170.

MLA Handbook (7th Edition):

Zheng, Xuan. “Molecular dynamics simulation of boundary lubricated contacts.” 2014. Web. 01 Mar 2021.

Vancouver:

Zheng X. Molecular dynamics simulation of boundary lubricated contacts. [Internet] [Doctoral dissertation]. University of Wollongong; 2014. [cited 2021 Mar 01]. Available from: ; https://ro.uow.edu.au/theses/4170.

Council of Science Editors:

Zheng X. Molecular dynamics simulation of boundary lubricated contacts. [Doctoral Dissertation]. University of Wollongong; 2014. Available from: ; https://ro.uow.edu.au/theses/4170

20. Morriss-Andrews, Herbert Alexander. Coarse-Grained Molecular Dynamics Simulations of Peptide Aggregation on Surfaces.

Degree: 2014, University of California – eScholarship, University of California

 Protein aggregation involves self-assembly of normally soluble proteins or peptides into supramolecular structures. This process is particularly important due to its involvement in several amyloid… (more)

Subjects/Keywords: Biophysics; Aggregation; Membranes; Molecular Dynamics; Protein; Simulation

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APA (6th Edition):

Morriss-Andrews, H. A. (2014). Coarse-Grained Molecular Dynamics Simulations of Peptide Aggregation on Surfaces. (Thesis). University of California – eScholarship, University of California. Retrieved from http://www.escholarship.org/uc/item/2ms586vt

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):

Morriss-Andrews, Herbert Alexander. “Coarse-Grained Molecular Dynamics Simulations of Peptide Aggregation on Surfaces.” 2014. Thesis, University of California – eScholarship, University of California. Accessed March 01, 2021. http://www.escholarship.org/uc/item/2ms586vt.

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

MLA Handbook (7th Edition):

Morriss-Andrews, Herbert Alexander. “Coarse-Grained Molecular Dynamics Simulations of Peptide Aggregation on Surfaces.” 2014. Web. 01 Mar 2021.

Vancouver:

Morriss-Andrews HA. Coarse-Grained Molecular Dynamics Simulations of Peptide Aggregation on Surfaces. [Internet] [Thesis]. University of California – eScholarship, University of California; 2014. [cited 2021 Mar 01]. Available from: http://www.escholarship.org/uc/item/2ms586vt.

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

Council of Science Editors:

Morriss-Andrews HA. Coarse-Grained Molecular Dynamics Simulations of Peptide Aggregation on Surfaces. [Thesis]. University of California – eScholarship, University of California; 2014. Available from: http://www.escholarship.org/uc/item/2ms586vt

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


IUPUI

21. Kazemi, Amirreza. Atomistic Study of the Effect of Magnesium Dopants on Nancrystalline Aluminium.

Degree: 2019, IUPUI

Indiana University-Purdue University Indianapolis (IUPUI)

Atomistic simulations are used in this project to study the deformation mechanism of polycrystalline and bicrystal of pure Al and… (more)

Subjects/Keywords: Molecular Dynamics simulation; Mg dopants; polycrystalline Al

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APA (6th Edition):

Kazemi, A. (2019). Atomistic Study of the Effect of Magnesium Dopants on Nancrystalline Aluminium. (Thesis). IUPUI. Retrieved from http://hdl.handle.net/1805/19991

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):

Kazemi, Amirreza. “Atomistic Study of the Effect of Magnesium Dopants on Nancrystalline Aluminium.” 2019. Thesis, IUPUI. Accessed March 01, 2021. http://hdl.handle.net/1805/19991.

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

MLA Handbook (7th Edition):

Kazemi, Amirreza. “Atomistic Study of the Effect of Magnesium Dopants on Nancrystalline Aluminium.” 2019. Web. 01 Mar 2021.

Vancouver:

Kazemi A. Atomistic Study of the Effect of Magnesium Dopants on Nancrystalline Aluminium. [Internet] [Thesis]. IUPUI; 2019. [cited 2021 Mar 01]. Available from: http://hdl.handle.net/1805/19991.

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

Council of Science Editors:

Kazemi A. Atomistic Study of the Effect of Magnesium Dopants on Nancrystalline Aluminium. [Thesis]. IUPUI; 2019. Available from: http://hdl.handle.net/1805/19991

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


University of Notre Dame

22. Hao Wu. Dynamics and Water Solubility of Ionic Liquids for CO2 Capture Using Molecular Dynamics Simulation</h1>.

Degree: Chemical and Biomolecular Engineering, 2013, University of Notre Dame

  Results of molecular dynamics simulations are reported in which the structure and dynamics of the reacted and unreacted forms of the task specific ionic… (more)

Subjects/Keywords: ionic liquid; molecular dynamics; CO2 capture; simulation

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APA (6th Edition):

Wu, H. (2013). Dynamics and Water Solubility of Ionic Liquids for CO2 Capture Using Molecular Dynamics Simulation</h1>. (Thesis). University of Notre Dame. Retrieved from https://curate.nd.edu/show/p2676t07g73

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):

Wu, Hao. “Dynamics and Water Solubility of Ionic Liquids for CO2 Capture Using Molecular Dynamics Simulation</h1>.” 2013. Thesis, University of Notre Dame. Accessed March 01, 2021. https://curate.nd.edu/show/p2676t07g73.

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

MLA Handbook (7th Edition):

Wu, Hao. “Dynamics and Water Solubility of Ionic Liquids for CO2 Capture Using Molecular Dynamics Simulation</h1>.” 2013. Web. 01 Mar 2021.

Vancouver:

Wu H. Dynamics and Water Solubility of Ionic Liquids for CO2 Capture Using Molecular Dynamics Simulation</h1>. [Internet] [Thesis]. University of Notre Dame; 2013. [cited 2021 Mar 01]. Available from: https://curate.nd.edu/show/p2676t07g73.

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

Council of Science Editors:

Wu H. Dynamics and Water Solubility of Ionic Liquids for CO2 Capture Using Molecular Dynamics Simulation</h1>. [Thesis]. University of Notre Dame; 2013. Available from: https://curate.nd.edu/show/p2676t07g73

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


University of Florida

23. Ragasa, Eugene J. Machine Learning Techniques for the Rational Design of Analytic Interatomic Potentials.

Degree: PhD, Materials Science and Engineering, 2019, University of Florida

 In this work, we analyze the limitations to the current approaches to the parameterization of empirical potentials. Typically, a single objective function of the weighted… (more)

Subjects/Keywords: atomistic-simulation  – molecular-dynamics  – pareto  – potential-development

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APA (6th Edition):

Ragasa, E. J. (2019). Machine Learning Techniques for the Rational Design of Analytic Interatomic Potentials. (Doctoral Dissertation). University of Florida. Retrieved from https://ufdc.ufl.edu/UFE0055800

Chicago Manual of Style (16th Edition):

Ragasa, Eugene J. “Machine Learning Techniques for the Rational Design of Analytic Interatomic Potentials.” 2019. Doctoral Dissertation, University of Florida. Accessed March 01, 2021. https://ufdc.ufl.edu/UFE0055800.

MLA Handbook (7th Edition):

Ragasa, Eugene J. “Machine Learning Techniques for the Rational Design of Analytic Interatomic Potentials.” 2019. Web. 01 Mar 2021.

Vancouver:

Ragasa EJ. Machine Learning Techniques for the Rational Design of Analytic Interatomic Potentials. [Internet] [Doctoral dissertation]. University of Florida; 2019. [cited 2021 Mar 01]. Available from: https://ufdc.ufl.edu/UFE0055800.

Council of Science Editors:

Ragasa EJ. Machine Learning Techniques for the Rational Design of Analytic Interatomic Potentials. [Doctoral Dissertation]. University of Florida; 2019. Available from: https://ufdc.ufl.edu/UFE0055800


University of Missouri – Columbia

24. Jia, Tao. Dynamic simulation of particulate and molecular systems.

Degree: 2011, University of Missouri – Columbia

 [ACCESS RESTRICTED TO THE UNIVERSITY OF MISSOURI AT REQUEST OF AUTHOR.] Granular packing of millimeter-scale and micrometer-scale particles with three different size distributions (monosize, bimodal… (more)

Subjects/Keywords: molecular dynamics simulation; particle packing; nanofluid

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APA (6th Edition):

Jia, T. (2011). Dynamic simulation of particulate and molecular systems. (Thesis). University of Missouri – Columbia. Retrieved from http://hdl.handle.net/10355/14507

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):

Jia, Tao. “Dynamic simulation of particulate and molecular systems.” 2011. Thesis, University of Missouri – Columbia. Accessed March 01, 2021. http://hdl.handle.net/10355/14507.

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

MLA Handbook (7th Edition):

Jia, Tao. “Dynamic simulation of particulate and molecular systems.” 2011. Web. 01 Mar 2021.

Vancouver:

Jia T. Dynamic simulation of particulate and molecular systems. [Internet] [Thesis]. University of Missouri – Columbia; 2011. [cited 2021 Mar 01]. Available from: http://hdl.handle.net/10355/14507.

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

Council of Science Editors:

Jia T. Dynamic simulation of particulate and molecular systems. [Thesis]. University of Missouri – Columbia; 2011. Available from: http://hdl.handle.net/10355/14507

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

25. Suk, Myung eun. Structure, property and transport mechanism of water and electrolytes in graphene nanopores.

Degree: PhD, 0133, 2013, University of Illinois – Urbana-Champaign

 Advances in fabrication, measurement and characterization have led to intense research in the area of nanoporous membranes. Owing to its ultrathin thickness, graphene nanopores are… (more)

Subjects/Keywords: Nanofluidics; Molecular dynamics simulation; Membrane transport

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APA (6th Edition):

Suk, M. e. (2013). Structure, property and transport mechanism of water and electrolytes in graphene nanopores. (Doctoral Dissertation). University of Illinois – Urbana-Champaign. Retrieved from http://hdl.handle.net/2142/45641

Chicago Manual of Style (16th Edition):

Suk, Myung eun. “Structure, property and transport mechanism of water and electrolytes in graphene nanopores.” 2013. Doctoral Dissertation, University of Illinois – Urbana-Champaign. Accessed March 01, 2021. http://hdl.handle.net/2142/45641.

MLA Handbook (7th Edition):

Suk, Myung eun. “Structure, property and transport mechanism of water and electrolytes in graphene nanopores.” 2013. Web. 01 Mar 2021.

Vancouver:

Suk Me. Structure, property and transport mechanism of water and electrolytes in graphene nanopores. [Internet] [Doctoral dissertation]. University of Illinois – Urbana-Champaign; 2013. [cited 2021 Mar 01]. Available from: http://hdl.handle.net/2142/45641.

Council of Science Editors:

Suk Me. Structure, property and transport mechanism of water and electrolytes in graphene nanopores. [Doctoral Dissertation]. University of Illinois – Urbana-Champaign; 2013. Available from: http://hdl.handle.net/2142/45641


University of Illinois – Urbana-Champaign

26. Borowiec, Katarzyna. Molecular dynamic simulation of pool boiling process.

Degree: MS, Nuclear, Plasma, Radiolgc Engr, 2017, University of Illinois – Urbana-Champaign

 Following work presents molecular dynamic simulation of the pool boiling process of water molecules with heater modelled as lattice of copper atoms. Heat transfer coefficient… (more)

Subjects/Keywords: heat transfer coefficient; molecular dynamics simulation

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APA (6th Edition):

Borowiec, K. (2017). Molecular dynamic simulation of pool boiling process. (Thesis). University of Illinois – Urbana-Champaign. Retrieved from http://hdl.handle.net/2142/99364

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):

Borowiec, Katarzyna. “Molecular dynamic simulation of pool boiling process.” 2017. Thesis, University of Illinois – Urbana-Champaign. Accessed March 01, 2021. http://hdl.handle.net/2142/99364.

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

MLA Handbook (7th Edition):

Borowiec, Katarzyna. “Molecular dynamic simulation of pool boiling process.” 2017. Web. 01 Mar 2021.

Vancouver:

Borowiec K. Molecular dynamic simulation of pool boiling process. [Internet] [Thesis]. University of Illinois – Urbana-Champaign; 2017. [cited 2021 Mar 01]. Available from: http://hdl.handle.net/2142/99364.

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

Council of Science Editors:

Borowiec K. Molecular dynamic simulation of pool boiling process. [Thesis]. University of Illinois – Urbana-Champaign; 2017. Available from: http://hdl.handle.net/2142/99364

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

27. Li, Chen-Yu. Transport properties of DNA nanostructures.

Degree: PhD, Biophysics & Computnl Biology, 2017, University of Illinois – Urbana-Champaign

 Besides the role of genetic information storage, DNA has been proposed as a new material in nanotechnology. The idea came from the nature-occurring Holliday junction… (more)

Subjects/Keywords: Deoxyribonucleic acid (DNA) origami; Molecular dynamics simulation

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APA (6th Edition):

Li, C. (2017). Transport properties of DNA nanostructures. (Doctoral Dissertation). University of Illinois – Urbana-Champaign. Retrieved from http://hdl.handle.net/2142/98248

Chicago Manual of Style (16th Edition):

Li, Chen-Yu. “Transport properties of DNA nanostructures.” 2017. Doctoral Dissertation, University of Illinois – Urbana-Champaign. Accessed March 01, 2021. http://hdl.handle.net/2142/98248.

MLA Handbook (7th Edition):

Li, Chen-Yu. “Transport properties of DNA nanostructures.” 2017. Web. 01 Mar 2021.

Vancouver:

Li C. Transport properties of DNA nanostructures. [Internet] [Doctoral dissertation]. University of Illinois – Urbana-Champaign; 2017. [cited 2021 Mar 01]. Available from: http://hdl.handle.net/2142/98248.

Council of Science Editors:

Li C. Transport properties of DNA nanostructures. [Doctoral Dissertation]. University of Illinois – Urbana-Champaign; 2017. Available from: http://hdl.handle.net/2142/98248

28. Sadat, Mohammad Rafat. Using Molecular Dynamics and Peridynamics Simulations to Better Understand Geopolymer .

Degree: 2017, University of Arizona

 Geopolymer is a novel cementitious material which can be a potential alternative to ordinary Portland cement (OPC) for all practical applications. However, until now research… (more)

Subjects/Keywords: Geopolymer; Molecular dynamics; Multiscale simulation; Peridynamics

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APA (6th Edition):

Sadat, M. R. (2017). Using Molecular Dynamics and Peridynamics Simulations to Better Understand Geopolymer . (Doctoral Dissertation). University of Arizona. Retrieved from http://hdl.handle.net/10150/626361

Chicago Manual of Style (16th Edition):

Sadat, Mohammad Rafat. “Using Molecular Dynamics and Peridynamics Simulations to Better Understand Geopolymer .” 2017. Doctoral Dissertation, University of Arizona. Accessed March 01, 2021. http://hdl.handle.net/10150/626361.

MLA Handbook (7th Edition):

Sadat, Mohammad Rafat. “Using Molecular Dynamics and Peridynamics Simulations to Better Understand Geopolymer .” 2017. Web. 01 Mar 2021.

Vancouver:

Sadat MR. Using Molecular Dynamics and Peridynamics Simulations to Better Understand Geopolymer . [Internet] [Doctoral dissertation]. University of Arizona; 2017. [cited 2021 Mar 01]. Available from: http://hdl.handle.net/10150/626361.

Council of Science Editors:

Sadat MR. Using Molecular Dynamics and Peridynamics Simulations to Better Understand Geopolymer . [Doctoral Dissertation]. University of Arizona; 2017. Available from: http://hdl.handle.net/10150/626361


Massey University

29. Irani, Amir Hossein. Charged polysaccharides as model polyelectrolytes : computational studies of transport and conformational properties.

Degree: PhD, Physics, 2018, Massey University

 Homogalacturonans (HGs) are polysaccharide co-polymers of galacturonic acid and its methylesterified counterpart, that play a crucial role in the mechanobiology of the cell walls of… (more)

Subjects/Keywords: Polysaccharides; Polyelectrolytes; Biophysics; Computer simulation; Molecular dynamics

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APA (6th Edition):

Irani, A. H. (2018). Charged polysaccharides as model polyelectrolytes : computational studies of transport and conformational properties. (Doctoral Dissertation). Massey University. Retrieved from http://hdl.handle.net/10179/15228

Chicago Manual of Style (16th Edition):

Irani, Amir Hossein. “Charged polysaccharides as model polyelectrolytes : computational studies of transport and conformational properties.” 2018. Doctoral Dissertation, Massey University. Accessed March 01, 2021. http://hdl.handle.net/10179/15228.

MLA Handbook (7th Edition):

Irani, Amir Hossein. “Charged polysaccharides as model polyelectrolytes : computational studies of transport and conformational properties.” 2018. Web. 01 Mar 2021.

Vancouver:

Irani AH. Charged polysaccharides as model polyelectrolytes : computational studies of transport and conformational properties. [Internet] [Doctoral dissertation]. Massey University; 2018. [cited 2021 Mar 01]. Available from: http://hdl.handle.net/10179/15228.

Council of Science Editors:

Irani AH. Charged polysaccharides as model polyelectrolytes : computational studies of transport and conformational properties. [Doctoral Dissertation]. Massey University; 2018. Available from: http://hdl.handle.net/10179/15228


Massey University

30. Wirz, Lukas N. Graph theoretic and electronic properties of fullerenes, &, Biasing molecular modelling simulations with experimental residual dipolar couplings.

Degree: PhD, 2015, Massey University

 In this thesis two different models, that is levels of abstraction, are used to explore specific classes of molecular structures and their properties. In part… (more)

Subjects/Keywords: Fullerenes; Molecular dynamics; Molecules; Models; Computer simulation

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APA (6th Edition):

Wirz, L. N. (2015). Graph theoretic and electronic properties of fullerenes, &, Biasing molecular modelling simulations with experimental residual dipolar couplings. (Doctoral Dissertation). Massey University. Retrieved from http://hdl.handle.net/10179/8276

Chicago Manual of Style (16th Edition):

Wirz, Lukas N. “Graph theoretic and electronic properties of fullerenes, &, Biasing molecular modelling simulations with experimental residual dipolar couplings.” 2015. Doctoral Dissertation, Massey University. Accessed March 01, 2021. http://hdl.handle.net/10179/8276.

MLA Handbook (7th Edition):

Wirz, Lukas N. “Graph theoretic and electronic properties of fullerenes, &, Biasing molecular modelling simulations with experimental residual dipolar couplings.” 2015. Web. 01 Mar 2021.

Vancouver:

Wirz LN. Graph theoretic and electronic properties of fullerenes, &, Biasing molecular modelling simulations with experimental residual dipolar couplings. [Internet] [Doctoral dissertation]. Massey University; 2015. [cited 2021 Mar 01]. Available from: http://hdl.handle.net/10179/8276.

Council of Science Editors:

Wirz LN. Graph theoretic and electronic properties of fullerenes, &, Biasing molecular modelling simulations with experimental residual dipolar couplings. [Doctoral Dissertation]. Massey University; 2015. Available from: http://hdl.handle.net/10179/8276

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