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You searched for subject:(molecular simulation). Showing records 1 – 30 of 1013 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 October 20, 2020. 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. 20 Oct 2020.

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 2020 Oct 20]. 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 Rochester

2. Zhang, Yingrui (1981 - ). Simulation of corrosion using molecular automation.

Degree: PhD, 2012, University of Rochester

 There exist many systems in Nature which present overall behavior of great complexity. Yet research in chemistry and physics has shown that the fundamental components… (more)

Subjects/Keywords: Corrosion; Molecular automation; Simulation

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APA (6th Edition):

Zhang, Y. (. -. ). (2012). Simulation of corrosion using molecular automation. (Doctoral Dissertation). University of Rochester. Retrieved from http://hdl.handle.net/1802/21659

Chicago Manual of Style (16th Edition):

Zhang, Yingrui (1981 - ). “Simulation of corrosion using molecular automation.” 2012. Doctoral Dissertation, University of Rochester. Accessed October 20, 2020. http://hdl.handle.net/1802/21659.

MLA Handbook (7th Edition):

Zhang, Yingrui (1981 - ). “Simulation of corrosion using molecular automation.” 2012. Web. 20 Oct 2020.

Vancouver:

Zhang Y(-). Simulation of corrosion using molecular automation. [Internet] [Doctoral dissertation]. University of Rochester; 2012. [cited 2020 Oct 20]. Available from: http://hdl.handle.net/1802/21659.

Council of Science Editors:

Zhang Y(-). Simulation of corrosion using molecular automation. [Doctoral Dissertation]. University of Rochester; 2012. Available from: http://hdl.handle.net/1802/21659

3. Ge, Ting. Entanglements in Large Deformation and Mechanical Failure of Glassy Polymers.

Degree: 2013, Johns Hopkins University

 Large deformation and mechanical failure of glassy polymers both in bulk and at interfaces are investigated through molecular simulations. Entanglements, the topological constraints that prevent… (more)

Subjects/Keywords: Molecular Simulation; Polymer Physics

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APA (6th Edition):

Ge, T. (2013). Entanglements in Large Deformation and Mechanical Failure of Glassy Polymers. (Thesis). Johns Hopkins University. Retrieved from http://jhir.library.jhu.edu/handle/1774.2/36947

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):

Ge, Ting. “Entanglements in Large Deformation and Mechanical Failure of Glassy Polymers.” 2013. Thesis, Johns Hopkins University. Accessed October 20, 2020. http://jhir.library.jhu.edu/handle/1774.2/36947.

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

MLA Handbook (7th Edition):

Ge, Ting. “Entanglements in Large Deformation and Mechanical Failure of Glassy Polymers.” 2013. Web. 20 Oct 2020.

Vancouver:

Ge T. Entanglements in Large Deformation and Mechanical Failure of Glassy Polymers. [Internet] [Thesis]. Johns Hopkins University; 2013. [cited 2020 Oct 20]. Available from: http://jhir.library.jhu.edu/handle/1774.2/36947.

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

Council of Science Editors:

Ge T. Entanglements in Large Deformation and Mechanical Failure of Glassy Polymers. [Thesis]. Johns Hopkins University; 2013. Available from: http://jhir.library.jhu.edu/handle/1774.2/36947

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

4. Singh, Gurpreet. Molecular simulation studies of peptide aggregation in small finite sized systems and near surfaces.

Degree: 2009, Technische Universität Dortmund

 Die Aggregation von Proteinen spielt in verschiedenen biologischen Prozessen eine Rolle und wird insbesondere mit vielen Krankheiten wie Alzheimer, Parkinson oder Type II Diabetes Mellitus… (more)

Subjects/Keywords: Molecular simulation; Peptide aggregation; 540

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APA (6th Edition):

Singh, G. (2009). Molecular simulation studies of peptide aggregation in small finite sized systems and near surfaces. (Thesis). Technische Universität Dortmund. Retrieved from http://hdl.handle.net/2003/26021

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):

Singh, Gurpreet. “Molecular simulation studies of peptide aggregation in small finite sized systems and near surfaces.” 2009. Thesis, Technische Universität Dortmund. Accessed October 20, 2020. http://hdl.handle.net/2003/26021.

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

MLA Handbook (7th Edition):

Singh, Gurpreet. “Molecular simulation studies of peptide aggregation in small finite sized systems and near surfaces.” 2009. Web. 20 Oct 2020.

Vancouver:

Singh G. Molecular simulation studies of peptide aggregation in small finite sized systems and near surfaces. [Internet] [Thesis]. Technische Universität Dortmund; 2009. [cited 2020 Oct 20]. Available from: http://hdl.handle.net/2003/26021.

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

Council of Science Editors:

Singh G. Molecular simulation studies of peptide aggregation in small finite sized systems and near surfaces. [Thesis]. Technische Universität Dortmund; 2009. Available from: http://hdl.handle.net/2003/26021

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


University of Manitoba

5. Qingzhe, Song Jr. Kinetic Properties of Triple Junctions in Metals Studied by Atomistic Simulations.

Degree: Mechanical Engineering, 2015, University of Manitoba

 Nanocrystalline materials could exhibit high mechanical yield strength. Nevertheless, with a high volume fraction in nanocrystalline material, grain boundaries and triple junctions which store a… (more)

Subjects/Keywords: Triple Junction; Molecular Dynamic Simulation

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APA (6th Edition):

Qingzhe, S. J. (2015). Kinetic Properties of Triple Junctions in Metals Studied by Atomistic Simulations. (Masters Thesis). University of Manitoba. Retrieved from http://hdl.handle.net/1993/30282

Chicago Manual of Style (16th Edition):

Qingzhe, Song Jr. “Kinetic Properties of Triple Junctions in Metals Studied by Atomistic Simulations.” 2015. Masters Thesis, University of Manitoba. Accessed October 20, 2020. http://hdl.handle.net/1993/30282.

MLA Handbook (7th Edition):

Qingzhe, Song Jr. “Kinetic Properties of Triple Junctions in Metals Studied by Atomistic Simulations.” 2015. Web. 20 Oct 2020.

Vancouver:

Qingzhe SJ. Kinetic Properties of Triple Junctions in Metals Studied by Atomistic Simulations. [Internet] [Masters thesis]. University of Manitoba; 2015. [cited 2020 Oct 20]. Available from: http://hdl.handle.net/1993/30282.

Council of Science Editors:

Qingzhe SJ. Kinetic Properties of Triple Junctions in Metals Studied by Atomistic Simulations. [Masters Thesis]. University of Manitoba; 2015. Available from: http://hdl.handle.net/1993/30282


University of Manitoba

6. 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 October 20, 2020. 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. 20 Oct 2020.

Vancouver:

Wei A. Adsorption of protein on a au surface studied by all-atom atomistic simulations. [Internet] [Masters thesis]. University of Manitoba; 2016. [cited 2020 Oct 20]. 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

7. 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 October 20, 2020. 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. 20 Oct 2020.

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 2020 Oct 20]. 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

8. 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 October 20, 2020. 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. 20 Oct 2020.

Vancouver:

Alwarawrah M. Study of lipid raft domains using computer simulation techniques. [Internet] [Thesis]. Texas Tech University; 2012. [cited 2020 Oct 20]. 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


University of South Florida

9. Fogarty, Joseph C. High Dimensional Non-Linear Optimization of Molecular Models.

Degree: 2014, University of South Florida

Molecular models allow computer simulations to predict the microscopic properties of macroscopic systems. Molecular modeling can also provide a fully understood test system for the… (more)

Subjects/Keywords: Molecular Modeling; Optimization; Simulation; Physics

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APA (6th Edition):

Fogarty, J. C. (2014). High Dimensional Non-Linear Optimization of Molecular Models. (Thesis). University of South Florida. Retrieved from https://scholarcommons.usf.edu/etd/5618

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):

Fogarty, Joseph C. “High Dimensional Non-Linear Optimization of Molecular Models.” 2014. Thesis, University of South Florida. Accessed October 20, 2020. https://scholarcommons.usf.edu/etd/5618.

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

MLA Handbook (7th Edition):

Fogarty, Joseph C. “High Dimensional Non-Linear Optimization of Molecular Models.” 2014. Web. 20 Oct 2020.

Vancouver:

Fogarty JC. High Dimensional Non-Linear Optimization of Molecular Models. [Internet] [Thesis]. University of South Florida; 2014. [cited 2020 Oct 20]. Available from: https://scholarcommons.usf.edu/etd/5618.

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

Council of Science Editors:

Fogarty JC. High Dimensional Non-Linear Optimization of Molecular Models. [Thesis]. University of South Florida; 2014. Available from: https://scholarcommons.usf.edu/etd/5618

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


Georgia Tech

10. Do, Khanh Ngoc. Molecular simulations of the bulk-heterojunction morphology in organic solar cells.

Degree: PhD, Chemistry and Biochemistry, 2016, Georgia Tech

 In this Thesis, we aim to elucidate clear connections between the chemical functionality and molecular morphologies of a number of high-performing or benchmark π-conjugated materials… (more)

Subjects/Keywords: Molecular simulation; Organic solar cells

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APA (6th Edition):

Do, K. N. (2016). Molecular simulations of the bulk-heterojunction morphology in organic solar cells. (Doctoral Dissertation). Georgia Tech. Retrieved from http://hdl.handle.net/1853/55626

Chicago Manual of Style (16th Edition):

Do, Khanh Ngoc. “Molecular simulations of the bulk-heterojunction morphology in organic solar cells.” 2016. Doctoral Dissertation, Georgia Tech. Accessed October 20, 2020. http://hdl.handle.net/1853/55626.

MLA Handbook (7th Edition):

Do, Khanh Ngoc. “Molecular simulations of the bulk-heterojunction morphology in organic solar cells.” 2016. Web. 20 Oct 2020.

Vancouver:

Do KN. Molecular simulations of the bulk-heterojunction morphology in organic solar cells. [Internet] [Doctoral dissertation]. Georgia Tech; 2016. [cited 2020 Oct 20]. Available from: http://hdl.handle.net/1853/55626.

Council of Science Editors:

Do KN. Molecular simulations of the bulk-heterojunction morphology in organic solar cells. [Doctoral Dissertation]. Georgia Tech; 2016. Available from: http://hdl.handle.net/1853/55626


Louisiana State University

11. Chen, Yuwu. Molecular Simulation Studies of Hydrophobins near Gas, Oil and Water Interfaces.

Degree: PhD, Chemical Engineering, 2016, Louisiana State University

 This dissertation contains fundamental, classical molecular simulation studies of the properties of hydrophobins (a unique family of surface-active proteins produced by filamentous fungi in soil)… (more)

Subjects/Keywords: interfaces; hydrophobin; molecular simulation

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APA (6th Edition):

Chen, Y. (2016). Molecular Simulation Studies of Hydrophobins near Gas, Oil and Water Interfaces. (Doctoral Dissertation). Louisiana State University. Retrieved from etd-01112017-114725 ; https://digitalcommons.lsu.edu/gradschool_dissertations/4260

Chicago Manual of Style (16th Edition):

Chen, Yuwu. “Molecular Simulation Studies of Hydrophobins near Gas, Oil and Water Interfaces.” 2016. Doctoral Dissertation, Louisiana State University. Accessed October 20, 2020. etd-01112017-114725 ; https://digitalcommons.lsu.edu/gradschool_dissertations/4260.

MLA Handbook (7th Edition):

Chen, Yuwu. “Molecular Simulation Studies of Hydrophobins near Gas, Oil and Water Interfaces.” 2016. Web. 20 Oct 2020.

Vancouver:

Chen Y. Molecular Simulation Studies of Hydrophobins near Gas, Oil and Water Interfaces. [Internet] [Doctoral dissertation]. Louisiana State University; 2016. [cited 2020 Oct 20]. Available from: etd-01112017-114725 ; https://digitalcommons.lsu.edu/gradschool_dissertations/4260.

Council of Science Editors:

Chen Y. Molecular Simulation Studies of Hydrophobins near Gas, Oil and Water Interfaces. [Doctoral Dissertation]. Louisiana State University; 2016. Available from: etd-01112017-114725 ; https://digitalcommons.lsu.edu/gradschool_dissertations/4260


University of Texas – Austin

12. Bello Rivas, Juan Manuel. Iterative milestoning.

Degree: PhD, Computational Science, Engineering, and Mathematics, 2016, University of Texas – Austin

 Computer simulation of matter using Molecular Dynamics (MD) is a staple in the field of Molecular Biophysics. MD yields results suitable for comparison with laboratory… (more)

Subjects/Keywords: Molecular simulation; Dynamical systems

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APA (6th Edition):

Bello Rivas, J. M. (2016). Iterative milestoning. (Doctoral Dissertation). University of Texas – Austin. Retrieved from http://hdl.handle.net/2152/45791

Chicago Manual of Style (16th Edition):

Bello Rivas, Juan Manuel. “Iterative milestoning.” 2016. Doctoral Dissertation, University of Texas – Austin. Accessed October 20, 2020. http://hdl.handle.net/2152/45791.

MLA Handbook (7th Edition):

Bello Rivas, Juan Manuel. “Iterative milestoning.” 2016. Web. 20 Oct 2020.

Vancouver:

Bello Rivas JM. Iterative milestoning. [Internet] [Doctoral dissertation]. University of Texas – Austin; 2016. [cited 2020 Oct 20]. Available from: http://hdl.handle.net/2152/45791.

Council of Science Editors:

Bello Rivas JM. Iterative milestoning. [Doctoral Dissertation]. University of Texas – Austin; 2016. Available from: http://hdl.handle.net/2152/45791


Vanderbilt University

13. 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 October 20, 2020. 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. 20 Oct 2020.

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 2020 Oct 20]. 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


Louisiana State University

14. Sepehri, Aliasghar. Innovative Monte Carlo Methods for Sampling Molecular Conformations.

Degree: PhD, Physical Chemistry, 2018, Louisiana State University

  Sampling molecular conformations is an important step in evaluating physical, mechanical, hydrodynamic, and optical properties of flexible molecules especially polymers. One powerful method for… (more)

Subjects/Keywords: Monte Carlo; Molecular Conformation; Molecular Simulation

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APA (6th Edition):

Sepehri, A. (2018). Innovative Monte Carlo Methods for Sampling Molecular Conformations. (Doctoral Dissertation). Louisiana State University. Retrieved from https://digitalcommons.lsu.edu/gradschool_dissertations/4201

Chicago Manual of Style (16th Edition):

Sepehri, Aliasghar. “Innovative Monte Carlo Methods for Sampling Molecular Conformations.” 2018. Doctoral Dissertation, Louisiana State University. Accessed October 20, 2020. https://digitalcommons.lsu.edu/gradschool_dissertations/4201.

MLA Handbook (7th Edition):

Sepehri, Aliasghar. “Innovative Monte Carlo Methods for Sampling Molecular Conformations.” 2018. Web. 20 Oct 2020.

Vancouver:

Sepehri A. Innovative Monte Carlo Methods for Sampling Molecular Conformations. [Internet] [Doctoral dissertation]. Louisiana State University; 2018. [cited 2020 Oct 20]. Available from: https://digitalcommons.lsu.edu/gradschool_dissertations/4201.

Council of Science Editors:

Sepehri A. Innovative Monte Carlo Methods for Sampling Molecular Conformations. [Doctoral Dissertation]. Louisiana State University; 2018. Available from: https://digitalcommons.lsu.edu/gradschool_dissertations/4201


University of Minnesota

15. Chen, Qile. Molecular Simulations of Phase Behavior for Polymer Blends and Block Polymers.

Degree: PhD, Chemical Engineering, 2018, University of Minnesota

 The wide variety of phase behavior associated with polymer mixtures and block polymers enables unprecedented opportunities in developing novel polymeric materials with desired properties. However,… (more)

Subjects/Keywords: mixing thermodynamics; molecular dynamics simulation; molecular simulation; Monte Carlo simulation; polymer physics

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APA (6th Edition):

Chen, Q. (2018). Molecular Simulations of Phase Behavior for Polymer Blends and Block Polymers. (Doctoral Dissertation). University of Minnesota. Retrieved from http://hdl.handle.net/11299/198992

Chicago Manual of Style (16th Edition):

Chen, Qile. “Molecular Simulations of Phase Behavior for Polymer Blends and Block Polymers.” 2018. Doctoral Dissertation, University of Minnesota. Accessed October 20, 2020. http://hdl.handle.net/11299/198992.

MLA Handbook (7th Edition):

Chen, Qile. “Molecular Simulations of Phase Behavior for Polymer Blends and Block Polymers.” 2018. Web. 20 Oct 2020.

Vancouver:

Chen Q. Molecular Simulations of Phase Behavior for Polymer Blends and Block Polymers. [Internet] [Doctoral dissertation]. University of Minnesota; 2018. [cited 2020 Oct 20]. Available from: http://hdl.handle.net/11299/198992.

Council of Science Editors:

Chen Q. Molecular Simulations of Phase Behavior for Polymer Blends and Block Polymers. [Doctoral Dissertation]. University of Minnesota; 2018. Available from: http://hdl.handle.net/11299/198992


University of California – San Francisco

16. Kehoe, Charles Ward. The Semi-Explicit Assembly Solvation Approach and Selected Applications.

Degree: Biological and Medical Informatics, 2012, University of California – San Francisco

 We present a new solvation approach, capable of accelerating the computations required for explicit solvent modeling by several orders of magnitude. This technology allows researchers… (more)

Subjects/Keywords: Molecular physics; Molecular biology; Computer science; Computational Biology; Computational Chemistry; Molecular Physics; Molecular Simulation; Solvation

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APA (6th Edition):

Kehoe, C. W. (2012). The Semi-Explicit Assembly Solvation Approach and Selected Applications. (Thesis). University of California – San Francisco. Retrieved from http://www.escholarship.org/uc/item/90m652dg

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):

Kehoe, Charles Ward. “The Semi-Explicit Assembly Solvation Approach and Selected Applications.” 2012. Thesis, University of California – San Francisco. Accessed October 20, 2020. http://www.escholarship.org/uc/item/90m652dg.

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

MLA Handbook (7th Edition):

Kehoe, Charles Ward. “The Semi-Explicit Assembly Solvation Approach and Selected Applications.” 2012. Web. 20 Oct 2020.

Vancouver:

Kehoe CW. The Semi-Explicit Assembly Solvation Approach and Selected Applications. [Internet] [Thesis]. University of California – San Francisco; 2012. [cited 2020 Oct 20]. Available from: http://www.escholarship.org/uc/item/90m652dg.

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

Council of Science Editors:

Kehoe CW. The Semi-Explicit Assembly Solvation Approach and Selected Applications. [Thesis]. University of California – San Francisco; 2012. Available from: http://www.escholarship.org/uc/item/90m652dg

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


NSYSU

17. Hsieh, Cheng-Chang. Molecular Packing in Crystalline Poly(9,9-di-n-hexyl-2,7-fluorene).

Degree: Master, Materials Science and Engineering, 2008, NSYSU

 By means of molecular simulation, we propose possible packing models for α and αⲠphases in poly(9,9-di-n-hexyl-2,7-fluorene) (PFH). Simulated multi-chain unit cell structures are compared… (more)

Subjects/Keywords: Molecular Simulation; Solid-Solid Phase Transformation; Polyfluorene

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APA (6th Edition):

Hsieh, C. (2008). Molecular Packing in Crystalline Poly(9,9-di-n-hexyl-2,7-fluorene). (Thesis). NSYSU. Retrieved from http://etd.lib.nsysu.edu.tw/ETD-db/ETD-search/view_etd?URN=etd-0613108-175959

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):

Hsieh, Cheng-Chang. “Molecular Packing in Crystalline Poly(9,9-di-n-hexyl-2,7-fluorene).” 2008. Thesis, NSYSU. Accessed October 20, 2020. http://etd.lib.nsysu.edu.tw/ETD-db/ETD-search/view_etd?URN=etd-0613108-175959.

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

MLA Handbook (7th Edition):

Hsieh, Cheng-Chang. “Molecular Packing in Crystalline Poly(9,9-di-n-hexyl-2,7-fluorene).” 2008. Web. 20 Oct 2020.

Vancouver:

Hsieh C. Molecular Packing in Crystalline Poly(9,9-di-n-hexyl-2,7-fluorene). [Internet] [Thesis]. NSYSU; 2008. [cited 2020 Oct 20]. Available from: http://etd.lib.nsysu.edu.tw/ETD-db/ETD-search/view_etd?URN=etd-0613108-175959.

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

Council of Science Editors:

Hsieh C. Molecular Packing in Crystalline Poly(9,9-di-n-hexyl-2,7-fluorene). [Thesis]. NSYSU; 2008. Available from: http://etd.lib.nsysu.edu.tw/ETD-db/ETD-search/view_etd?URN=etd-0613108-175959

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

18. 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 October 20, 2020. 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. 20 Oct 2020.

Vancouver:

Zhao W. Molecular Modeling of Charged Membrane Systems. [Internet] [Thesis]. Helsinki University of Technology; 2006. [cited 2020 Oct 20]. 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

19. 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 October 20, 2020. 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. 20 Oct 2020.

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 2020 Oct 20]. 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

20. 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 October 20, 2020. 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. 20 Oct 2020.

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 2020 Oct 20]. 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

21. 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 October 20, 2020. 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. 20 Oct 2020.

Vancouver:

Szewczyk P. Study of the phase behavior of triacylglycerols using molecular dynamics simulation. [Internet] [Masters thesis]. University of Alberta; 2010. [cited 2020 Oct 20]. 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

22. 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 October 20, 2020. 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. 20 Oct 2020.

Vancouver:

Nguyen L. Atomistic Simulations And Modeling Of Deformation Mechanisms In Aluminum Under Experimental Conditions. [Internet] [Doctoral dissertation]. Cornell University; 2013. [cited 2020 Oct 20]. 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

23. 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 October 20, 2020. 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. 20 Oct 2020.

Vancouver:

Lewis JB. Investigation of Frictional Properties in Pure and Mixed Fluorocarbon/Hydrocarbon Monolayers by Molecular Simulations. [Internet] [Doctoral dissertation]. Vanderbilt University; 2012. [cited 2020 Oct 20]. 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


Vanderbilt University

24. Taylor, Courtney Barnett. Investigating structure-function relationships in family 7 cellulases by molecular simulation.

Degree: PhD, Chemical Engineering, 2012, Vanderbilt University

 The conversion of plant biomass to fermentable sugars is a primary option for the production of biofuels. Cellulases, the enzymes that break down recalcitrant plant… (more)

Subjects/Keywords: celluases; molecular simulation; biofuels; thermodynamic integration

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APA (6th Edition):

Taylor, C. B. (2012). Investigating structure-function relationships in family 7 cellulases by molecular simulation. (Doctoral Dissertation). Vanderbilt University. Retrieved from http://hdl.handle.net/1803/12856

Chicago Manual of Style (16th Edition):

Taylor, Courtney Barnett. “Investigating structure-function relationships in family 7 cellulases by molecular simulation.” 2012. Doctoral Dissertation, Vanderbilt University. Accessed October 20, 2020. http://hdl.handle.net/1803/12856.

MLA Handbook (7th Edition):

Taylor, Courtney Barnett. “Investigating structure-function relationships in family 7 cellulases by molecular simulation.” 2012. Web. 20 Oct 2020.

Vancouver:

Taylor CB. Investigating structure-function relationships in family 7 cellulases by molecular simulation. [Internet] [Doctoral dissertation]. Vanderbilt University; 2012. [cited 2020 Oct 20]. Available from: http://hdl.handle.net/1803/12856.

Council of Science Editors:

Taylor CB. Investigating structure-function relationships in family 7 cellulases by molecular simulation. [Doctoral Dissertation]. Vanderbilt University; 2012. Available from: http://hdl.handle.net/1803/12856


Penn State University

25. 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 October 20, 2020. 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. 20 Oct 2020.

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 2020 Oct 20]. 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

26. 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 October 20, 2020. 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. 20 Oct 2020.

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 2020 Oct 20]. 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

27. 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 October 20, 2020. ; https://ro.uow.edu.au/theses/4170.

MLA Handbook (7th Edition):

Zheng, Xuan. “Molecular dynamics simulation of boundary lubricated contacts.” 2014. Web. 20 Oct 2020.

Vancouver:

Zheng X. Molecular dynamics simulation of boundary lubricated contacts. [Internet] [Doctoral dissertation]. University of Wollongong; 2014. [cited 2020 Oct 20]. 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

28. 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 October 20, 2020. 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. 20 Oct 2020.

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 2020 Oct 20]. 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


Queen Mary, University of London

29. Chen, Xia. Investigating the effects of cholesterol on phospholipid bilayer with molecular dynamics simulations.

Degree: PhD, 2016, Queen Mary, University of London

 This PhD project studies the effects of cholesterol in phospholipid bilayer using molecular dynamics (MD) simulations. Dipalmitoylphosphatidylcholine(DPPC) bilayers with cholesterol concentrations between 0% and 40%… (more)

Subjects/Keywords: cholesterol; phospholipid bilayer; molecular dynamic simulation

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APA (6th Edition):

Chen, X. (2016). Investigating the effects of cholesterol on phospholipid bilayer with molecular dynamics simulations. (Doctoral Dissertation). Queen Mary, University of London. Retrieved from http://qmro.qmul.ac.uk/xmlui/handle/123456789/12584 ; https://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.775192

Chicago Manual of Style (16th Edition):

Chen, Xia. “Investigating the effects of cholesterol on phospholipid bilayer with molecular dynamics simulations.” 2016. Doctoral Dissertation, Queen Mary, University of London. Accessed October 20, 2020. http://qmro.qmul.ac.uk/xmlui/handle/123456789/12584 ; https://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.775192.

MLA Handbook (7th Edition):

Chen, Xia. “Investigating the effects of cholesterol on phospholipid bilayer with molecular dynamics simulations.” 2016. Web. 20 Oct 2020.

Vancouver:

Chen X. Investigating the effects of cholesterol on phospholipid bilayer with molecular dynamics simulations. [Internet] [Doctoral dissertation]. Queen Mary, University of London; 2016. [cited 2020 Oct 20]. Available from: http://qmro.qmul.ac.uk/xmlui/handle/123456789/12584 ; https://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.775192.

Council of Science Editors:

Chen X. Investigating the effects of cholesterol on phospholipid bilayer with molecular dynamics simulations. [Doctoral Dissertation]. Queen Mary, University of London; 2016. Available from: http://qmro.qmul.ac.uk/xmlui/handle/123456789/12584 ; https://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.775192


University of Edinburgh

30. Cessford, Naomi Faye. Simulation of the synthesis of metal-organic framework materials.

Degree: PhD, 2014, University of Edinburgh

 The objective of this work was to develop a molecular simulation method with the capacity to represent the synthesis of metal-organic framework (MOF) structures to… (more)

Subjects/Keywords: 620.1; molecular simulation; metal-organic frameworks; adsorption

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APA (6th Edition):

Cessford, N. F. (2014). Simulation of the synthesis of metal-organic framework materials. (Doctoral Dissertation). University of Edinburgh. Retrieved from http://hdl.handle.net/1842/17610

Chicago Manual of Style (16th Edition):

Cessford, Naomi Faye. “Simulation of the synthesis of metal-organic framework materials.” 2014. Doctoral Dissertation, University of Edinburgh. Accessed October 20, 2020. http://hdl.handle.net/1842/17610.

MLA Handbook (7th Edition):

Cessford, Naomi Faye. “Simulation of the synthesis of metal-organic framework materials.” 2014. Web. 20 Oct 2020.

Vancouver:

Cessford NF. Simulation of the synthesis of metal-organic framework materials. [Internet] [Doctoral dissertation]. University of Edinburgh; 2014. [cited 2020 Oct 20]. Available from: http://hdl.handle.net/1842/17610.

Council of Science Editors:

Cessford NF. Simulation of the synthesis of metal-organic framework materials. [Doctoral Dissertation]. University of Edinburgh; 2014. Available from: http://hdl.handle.net/1842/17610

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