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University: University of Florida

You searched for subject:(Molecular Dynamics). Showing records 1 – 30 of 46 total matches.

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University of Florida

1. 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 July 15, 2020. 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. 15 Jul 2020.

Vancouver:

Ragasa EJ. Machine Learning Techniques for the Rational Design of Analytic Interatomic Potentials. [Internet] [Doctoral dissertation]. University of Florida; 2019. [cited 2020 Jul 15]. 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 Florida

2. McGee, Terry Dwight. Investigating the Conformational Dynamics of HIV-1 Protease through Molecular Dynamics.

Degree: PhD, Chemistry, 2013, University of Florida

 Human Immunodeficiency Virus (HIV), the virus that causes Acquired Immunodeficiency Syndrome (AIDS), is still one of the most prominent diseases in the world. One of… (more)

Subjects/Keywords: Active sites; Atoms; HIV; Hydrogen bonds; Ligands; Molecular dynamics; Monomers; Protease inhibitors; Simulations; Solvents; dynamics  – hiv  – molecular  – protease

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APA (6th Edition):

McGee, T. D. (2013). Investigating the Conformational Dynamics of HIV-1 Protease through Molecular Dynamics. (Doctoral Dissertation). University of Florida. Retrieved from https://ufdc.ufl.edu/UFE0046101

Chicago Manual of Style (16th Edition):

McGee, Terry Dwight. “Investigating the Conformational Dynamics of HIV-1 Protease through Molecular Dynamics.” 2013. Doctoral Dissertation, University of Florida. Accessed July 15, 2020. https://ufdc.ufl.edu/UFE0046101.

MLA Handbook (7th Edition):

McGee, Terry Dwight. “Investigating the Conformational Dynamics of HIV-1 Protease through Molecular Dynamics.” 2013. Web. 15 Jul 2020.

Vancouver:

McGee TD. Investigating the Conformational Dynamics of HIV-1 Protease through Molecular Dynamics. [Internet] [Doctoral dissertation]. University of Florida; 2013. [cited 2020 Jul 15]. Available from: https://ufdc.ufl.edu/UFE0046101.

Council of Science Editors:

McGee TD. Investigating the Conformational Dynamics of HIV-1 Protease through Molecular Dynamics. [Doctoral Dissertation]. University of Florida; 2013. Available from: https://ufdc.ufl.edu/UFE0046101


University of Florida

3. Gupta, Pancham Lal. Study of pH-Dependent Functions of E. coli Glycinamide Ribonucleotide Transformylase.

Degree: PhD, Chemistry, 2019, University of Florida

 Human Glycinamide ribonucleotide transformylase (GAR Tfase) is one of the regulatory enzymes and considered as an anti-cancer target. GAR Tfase catalyzes the formyl transfer reaction… (more)

Subjects/Keywords: binding  – molecular-dynamics  – ph-activity  – ph-dependent-structural-change

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APA (6th Edition):

Gupta, P. L. (2019). Study of pH-Dependent Functions of E. coli Glycinamide Ribonucleotide Transformylase. (Doctoral Dissertation). University of Florida. Retrieved from https://ufdc.ufl.edu/UFE0055975

Chicago Manual of Style (16th Edition):

Gupta, Pancham Lal. “Study of pH-Dependent Functions of E. coli Glycinamide Ribonucleotide Transformylase.” 2019. Doctoral Dissertation, University of Florida. Accessed July 15, 2020. https://ufdc.ufl.edu/UFE0055975.

MLA Handbook (7th Edition):

Gupta, Pancham Lal. “Study of pH-Dependent Functions of E. coli Glycinamide Ribonucleotide Transformylase.” 2019. Web. 15 Jul 2020.

Vancouver:

Gupta PL. Study of pH-Dependent Functions of E. coli Glycinamide Ribonucleotide Transformylase. [Internet] [Doctoral dissertation]. University of Florida; 2019. [cited 2020 Jul 15]. Available from: https://ufdc.ufl.edu/UFE0055975.

Council of Science Editors:

Gupta PL. Study of pH-Dependent Functions of E. coli Glycinamide Ribonucleotide Transformylase. [Doctoral Dissertation]. University of Florida; 2019. Available from: https://ufdc.ufl.edu/UFE0055975


University of Florida

4. Slapikas, Robert E. Effects of Sulfur Vacancy Concentration on SLMoS2 Fracture Caused by Rapid Quenching.

Degree: MS, Materials Science and Engineering, 2018, University of Florida

Subjects/Keywords: dynamics; fracture; molecular; rebo; slmos2

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APA (6th Edition):

Slapikas, R. E. (2018). Effects of Sulfur Vacancy Concentration on SLMoS2 Fracture Caused by Rapid Quenching. (Masters Thesis). University of Florida. Retrieved from https://ufdc.ufl.edu/UFE0052403

Chicago Manual of Style (16th Edition):

Slapikas, Robert E. “Effects of Sulfur Vacancy Concentration on SLMoS2 Fracture Caused by Rapid Quenching.” 2018. Masters Thesis, University of Florida. Accessed July 15, 2020. https://ufdc.ufl.edu/UFE0052403.

MLA Handbook (7th Edition):

Slapikas, Robert E. “Effects of Sulfur Vacancy Concentration on SLMoS2 Fracture Caused by Rapid Quenching.” 2018. Web. 15 Jul 2020.

Vancouver:

Slapikas RE. Effects of Sulfur Vacancy Concentration on SLMoS2 Fracture Caused by Rapid Quenching. [Internet] [Masters thesis]. University of Florida; 2018. [cited 2020 Jul 15]. Available from: https://ufdc.ufl.edu/UFE0052403.

Council of Science Editors:

Slapikas RE. Effects of Sulfur Vacancy Concentration on SLMoS2 Fracture Caused by Rapid Quenching. [Masters Thesis]. University of Florida; 2018. Available from: https://ufdc.ufl.edu/UFE0052403


University of Florida

5. Sabri Dashti, Danial. Developing and Optimizing the Replica Exchange-Based Free Energy Methods.

Degree: PhD, Physics, 2013, University of Florida

 In recent decades, by increasing the power of computers’ hardware and developing efficient algorithms, the study of large biomolecular systems has been facilitated. During my… (more)

Subjects/Keywords: Algorithms; Chemicals; Copyrights; Fees; Free energy; Information standards; Molecular dynamics; Print media; Professional certification; United States government publications; carlo  – dynamics  – exchange  – hamiltonian  – metropolis  – molecular  – monte  – optimization  – replica

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APA (6th Edition):

Sabri Dashti, D. (2013). Developing and Optimizing the Replica Exchange-Based Free Energy Methods. (Doctoral Dissertation). University of Florida. Retrieved from https://ufdc.ufl.edu/UFE0045878

Chicago Manual of Style (16th Edition):

Sabri Dashti, Danial. “Developing and Optimizing the Replica Exchange-Based Free Energy Methods.” 2013. Doctoral Dissertation, University of Florida. Accessed July 15, 2020. https://ufdc.ufl.edu/UFE0045878.

MLA Handbook (7th Edition):

Sabri Dashti, Danial. “Developing and Optimizing the Replica Exchange-Based Free Energy Methods.” 2013. Web. 15 Jul 2020.

Vancouver:

Sabri Dashti D. Developing and Optimizing the Replica Exchange-Based Free Energy Methods. [Internet] [Doctoral dissertation]. University of Florida; 2013. [cited 2020 Jul 15]. Available from: https://ufdc.ufl.edu/UFE0045878.

Council of Science Editors:

Sabri Dashti D. Developing and Optimizing the Replica Exchange-Based Free Energy Methods. [Doctoral Dissertation]. University of Florida; 2013. Available from: https://ufdc.ufl.edu/UFE0045878


University of Florida

6. Yu, Long. Rationalizing and Quantifying the Scrambling Chemistry in Peptide Sequencing A Computational Perspective.

Degree: PhD, Chemistry, 2014, University of Florida

A spectrum of computational approaches have been applied to the investigation of peptide sequence scrambling processes and the limitations of ultra-high mass spectrometry. Advisors/Committee Members: POLFER,NICOLAS CAMILLE (committee chair), OMENETTO,NICOLO (committee member), ROITBERG,ADRIAN E (committee member), CHEN,SIXUE (committee member).

Subjects/Keywords: Amino acids; Average linear density; Datasets; Ions; Isomers; Mass spectrometers; Mass spectroscopy; Molecular dynamics; Sequencing; Simulations; peptide  – permutation  – scrambling  – sequence

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APA (6th Edition):

Yu, L. (2014). Rationalizing and Quantifying the Scrambling Chemistry in Peptide Sequencing A Computational Perspective. (Doctoral Dissertation). University of Florida. Retrieved from https://ufdc.ufl.edu/UFE0045925

Chicago Manual of Style (16th Edition):

Yu, Long. “Rationalizing and Quantifying the Scrambling Chemistry in Peptide Sequencing A Computational Perspective.” 2014. Doctoral Dissertation, University of Florida. Accessed July 15, 2020. https://ufdc.ufl.edu/UFE0045925.

MLA Handbook (7th Edition):

Yu, Long. “Rationalizing and Quantifying the Scrambling Chemistry in Peptide Sequencing A Computational Perspective.” 2014. Web. 15 Jul 2020.

Vancouver:

Yu L. Rationalizing and Quantifying the Scrambling Chemistry in Peptide Sequencing A Computational Perspective. [Internet] [Doctoral dissertation]. University of Florida; 2014. [cited 2020 Jul 15]. Available from: https://ufdc.ufl.edu/UFE0045925.

Council of Science Editors:

Yu L. Rationalizing and Quantifying the Scrambling Chemistry in Peptide Sequencing A Computational Perspective. [Doctoral Dissertation]. University of Florida; 2014. Available from: https://ufdc.ufl.edu/UFE0045925


University of Florida

7. Li, Yangzhong. Molecular Dynamics Simulation of Defected Structures by COMB and EAM Potentials.

Degree: PhD, Materials Science and Engineering, 2014, University of Florida

 Nuclear energy is a sustainable and renewable energy source for the future. Thermal reactors and fast reactors in nuclear plants use uranium dioxide, UO2, or… (more)

Subjects/Keywords: Alloys; Atomic interactions; Atoms; Energy; Grain boundaries; Hardness; Oxygen; Simulations; Single crystals; Uranium; comb  – dynamics  – material  – molecular  – nuclear  – simulation

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APA (6th Edition):

Li, Y. (2014). Molecular Dynamics Simulation of Defected Structures by COMB and EAM Potentials. (Doctoral Dissertation). University of Florida. Retrieved from https://ufdc.ufl.edu/UFE0046618

Chicago Manual of Style (16th Edition):

Li, Yangzhong. “Molecular Dynamics Simulation of Defected Structures by COMB and EAM Potentials.” 2014. Doctoral Dissertation, University of Florida. Accessed July 15, 2020. https://ufdc.ufl.edu/UFE0046618.

MLA Handbook (7th Edition):

Li, Yangzhong. “Molecular Dynamics Simulation of Defected Structures by COMB and EAM Potentials.” 2014. Web. 15 Jul 2020.

Vancouver:

Li Y. Molecular Dynamics Simulation of Defected Structures by COMB and EAM Potentials. [Internet] [Doctoral dissertation]. University of Florida; 2014. [cited 2020 Jul 15]. Available from: https://ufdc.ufl.edu/UFE0046618.

Council of Science Editors:

Li Y. Molecular Dynamics Simulation of Defected Structures by COMB and EAM Potentials. [Doctoral Dissertation]. University of Florida; 2014. Available from: https://ufdc.ufl.edu/UFE0046618


University of Florida

8. Karaborni, Sami. Structural and dynamics studies of surfactants and micelles.

Degree: 1990, University of Florida

Subjects/Keywords: Chemicals; Hydrocarbons; Micelles; Modeling; Molecular dynamics; Molecular interactions; Molecules; Simulations; Sulfates; Surfactants; Chemical Engineering thesis Ph. D; Chemical structure; Micelles; Molecular dynamics; Surface active agents

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APA (6th Edition):

Karaborni, S. (1990). Structural and dynamics studies of surfactants and micelles. (Thesis). University of Florida. Retrieved from https://ufdc.ufl.edu/AA00022489

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):

Karaborni, Sami. “Structural and dynamics studies of surfactants and micelles.” 1990. Thesis, University of Florida. Accessed July 15, 2020. https://ufdc.ufl.edu/AA00022489.

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

MLA Handbook (7th Edition):

Karaborni, Sami. “Structural and dynamics studies of surfactants and micelles.” 1990. Web. 15 Jul 2020.

Vancouver:

Karaborni S. Structural and dynamics studies of surfactants and micelles. [Internet] [Thesis]. University of Florida; 1990. [cited 2020 Jul 15]. Available from: https://ufdc.ufl.edu/AA00022489.

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

Council of Science Editors:

Karaborni S. Structural and dynamics studies of surfactants and micelles. [Thesis]. University of Florida; 1990. Available from: https://ufdc.ufl.edu/AA00022489

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


University of Florida

9. Alkis, Sabri. Computer Simulations of Self-Assembled Monolayers on the Au(111) Surface.

Degree: PhD, Chemistry, 2009, University of Florida

 Many polymer and organic molecule assemblies have been investigated recently because of their applications in molecular electronics, surface chemistry and bio-sensors. These assemblies are often… (more)

Subjects/Keywords: Atoms; Chemicals; Energy; Molecular dynamics; Molecular structure; Molecules; Physical chemistry; Physics; Simulations; Velocity; assembled, au, calculations, computer, dft, dynamics, molecular, monolayers, self, simulations

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APA (6th Edition):

Alkis, S. (2009). Computer Simulations of Self-Assembled Monolayers on the Au(111) Surface. (Doctoral Dissertation). University of Florida. Retrieved from https://ufdc.ufl.edu/UFE0024209

Chicago Manual of Style (16th Edition):

Alkis, Sabri. “Computer Simulations of Self-Assembled Monolayers on the Au(111) Surface.” 2009. Doctoral Dissertation, University of Florida. Accessed July 15, 2020. https://ufdc.ufl.edu/UFE0024209.

MLA Handbook (7th Edition):

Alkis, Sabri. “Computer Simulations of Self-Assembled Monolayers on the Au(111) Surface.” 2009. Web. 15 Jul 2020.

Vancouver:

Alkis S. Computer Simulations of Self-Assembled Monolayers on the Au(111) Surface. [Internet] [Doctoral dissertation]. University of Florida; 2009. [cited 2020 Jul 15]. Available from: https://ufdc.ufl.edu/UFE0024209.

Council of Science Editors:

Alkis S. Computer Simulations of Self-Assembled Monolayers on the Au(111) Surface. [Doctoral Dissertation]. University of Florida; 2009. Available from: https://ufdc.ufl.edu/UFE0024209


University of Florida

10. Miller, Billy R, III. Computational Drug Design and Discovery for Trypanosoma cruzi Trans-Sialidase.

Degree: PhD, Chemistry, 2013, University of Florida

 Chagas’ disease is a lethal condition that affects millions of people worldwide, although the highest prevalence of Chagas’ is found in rural regions of Central… (more)

Subjects/Keywords: Active sites; Atoms; Docking; Drug design; Drug interactions; Free energy; Ligands; Receptors; Simulations; Zinc; binding  – cruzi  – docking  – dynamics  – energy  – free  – molecular  – pharmacophore  – sialidase  – trans  – trypanosoma

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APA (6th Edition):

Miller, Billy R, I. (2013). Computational Drug Design and Discovery for Trypanosoma cruzi Trans-Sialidase. (Doctoral Dissertation). University of Florida. Retrieved from https://ufdc.ufl.edu/UFE0045774

Chicago Manual of Style (16th Edition):

Miller, Billy R, III. “Computational Drug Design and Discovery for Trypanosoma cruzi Trans-Sialidase.” 2013. Doctoral Dissertation, University of Florida. Accessed July 15, 2020. https://ufdc.ufl.edu/UFE0045774.

MLA Handbook (7th Edition):

Miller, Billy R, III. “Computational Drug Design and Discovery for Trypanosoma cruzi Trans-Sialidase.” 2013. Web. 15 Jul 2020.

Vancouver:

Miller, Billy R I. Computational Drug Design and Discovery for Trypanosoma cruzi Trans-Sialidase. [Internet] [Doctoral dissertation]. University of Florida; 2013. [cited 2020 Jul 15]. Available from: https://ufdc.ufl.edu/UFE0045774.

Council of Science Editors:

Miller, Billy R I. Computational Drug Design and Discovery for Trypanosoma cruzi Trans-Sialidase. [Doctoral Dissertation]. University of Florida; 2013. Available from: https://ufdc.ufl.edu/UFE0045774


University of Florida

11. Hegazy, Lamees. Molecular Dynamics Simulations and Virtual Screening to Identify Potent Inhibitors of Human Asparagine Synthetase.

Degree: PhD, Chemistry, 2013, University of Florida

 Asparagine synthetase (ASNS), which mediates the biosynthesis of L-asparagine, has become of increasing interest as a drug target. Overexpression of ASNS was observed in ASNase-resistant… (more)

Subjects/Keywords: Active sites; Atoms; Docking; Enzymes; Hydrogen; Ligands; Molecular interactions; Molecules; Parametric models; Simulations; asparagine  – biochemistry  – computational  – design  – discovery  – docking  – drug  – dynamics  – inhibitors  – leukemia  – modeling  – screening  – simulations  – synthetase  – virtual

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APA (6th Edition):

Hegazy, L. (2013). Molecular Dynamics Simulations and Virtual Screening to Identify Potent Inhibitors of Human Asparagine Synthetase. (Doctoral Dissertation). University of Florida. Retrieved from https://ufdc.ufl.edu/UFE0046098

Chicago Manual of Style (16th Edition):

Hegazy, Lamees. “Molecular Dynamics Simulations and Virtual Screening to Identify Potent Inhibitors of Human Asparagine Synthetase.” 2013. Doctoral Dissertation, University of Florida. Accessed July 15, 2020. https://ufdc.ufl.edu/UFE0046098.

MLA Handbook (7th Edition):

Hegazy, Lamees. “Molecular Dynamics Simulations and Virtual Screening to Identify Potent Inhibitors of Human Asparagine Synthetase.” 2013. Web. 15 Jul 2020.

Vancouver:

Hegazy L. Molecular Dynamics Simulations and Virtual Screening to Identify Potent Inhibitors of Human Asparagine Synthetase. [Internet] [Doctoral dissertation]. University of Florida; 2013. [cited 2020 Jul 15]. Available from: https://ufdc.ufl.edu/UFE0046098.

Council of Science Editors:

Hegazy L. Molecular Dynamics Simulations and Virtual Screening to Identify Potent Inhibitors of Human Asparagine Synthetase. [Doctoral Dissertation]. University of Florida; 2013. Available from: https://ufdc.ufl.edu/UFE0046098


University of Florida

12. Taylor, DeCarlos E. The transfer Hamiltonian a tool for large scale, accurate, molecular dynamics simulations using quantum mechanical potentials.

Degree: PhD, Chemistry, 2004, University of Florida

Subjects/Keywords: Atoms; Electrons; Energy; Mechanical forces; Molecular dynamics; Nanorods; Orbitals; Parameterization; Silicon; Simulations

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APA (6th Edition):

Taylor, D. E. (2004). The transfer Hamiltonian a tool for large scale, accurate, molecular dynamics simulations using quantum mechanical potentials. (Doctoral Dissertation). University of Florida. Retrieved from https://ufdc.ufl.edu/AA00039534

Chicago Manual of Style (16th Edition):

Taylor, DeCarlos E. “The transfer Hamiltonian a tool for large scale, accurate, molecular dynamics simulations using quantum mechanical potentials.” 2004. Doctoral Dissertation, University of Florida. Accessed July 15, 2020. https://ufdc.ufl.edu/AA00039534.

MLA Handbook (7th Edition):

Taylor, DeCarlos E. “The transfer Hamiltonian a tool for large scale, accurate, molecular dynamics simulations using quantum mechanical potentials.” 2004. Web. 15 Jul 2020.

Vancouver:

Taylor DE. The transfer Hamiltonian a tool for large scale, accurate, molecular dynamics simulations using quantum mechanical potentials. [Internet] [Doctoral dissertation]. University of Florida; 2004. [cited 2020 Jul 15]. Available from: https://ufdc.ufl.edu/AA00039534.

Council of Science Editors:

Taylor DE. The transfer Hamiltonian a tool for large scale, accurate, molecular dynamics simulations using quantum mechanical potentials. [Doctoral Dissertation]. University of Florida; 2004. Available from: https://ufdc.ufl.edu/AA00039534


University of Florida

13. Ucisik, Melek Nihan. Computational Studies on the Energetics and Dynamics of Biomolecular Systems.

Degree: PhD, Chemistry, 2014, University of Florida

 Computational chemistry offers many avenues to investigate physical phenomena at the molecular level which is usually not totally captured by experiments. Its applications on biological… (more)

Subjects/Keywords: Additivity; Atoms; Free energy; Ligands; Modeling; Proteins; Simulations; Solvation; Solvents; Trajectories; additivity  – affinity  – binding  – chemistry  – computational  – design  – drug  – dynamics  – inhibitor  – ligand  – mechanics  – molecular  – protein  – quantum  – structure  – uncertainty

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APA (6th Edition):

Ucisik, M. N. (2014). Computational Studies on the Energetics and Dynamics of Biomolecular Systems. (Doctoral Dissertation). University of Florida. Retrieved from https://ufdc.ufl.edu/UFE0046515

Chicago Manual of Style (16th Edition):

Ucisik, Melek Nihan. “Computational Studies on the Energetics and Dynamics of Biomolecular Systems.” 2014. Doctoral Dissertation, University of Florida. Accessed July 15, 2020. https://ufdc.ufl.edu/UFE0046515.

MLA Handbook (7th Edition):

Ucisik, Melek Nihan. “Computational Studies on the Energetics and Dynamics of Biomolecular Systems.” 2014. Web. 15 Jul 2020.

Vancouver:

Ucisik MN. Computational Studies on the Energetics and Dynamics of Biomolecular Systems. [Internet] [Doctoral dissertation]. University of Florida; 2014. [cited 2020 Jul 15]. Available from: https://ufdc.ufl.edu/UFE0046515.

Council of Science Editors:

Ucisik MN. Computational Studies on the Energetics and Dynamics of Biomolecular Systems. [Doctoral Dissertation]. University of Florida; 2014. Available from: https://ufdc.ufl.edu/UFE0046515


University of Florida

14. Ballamudi, Ravi Kiran. Molecular simulations of solid surface-polymer solution interfaces (at segmental and chain scale).

Degree: PhD, Chemical Engineering, 1997, University of Florida

Subjects/Keywords: Boxes; Liquids; Modeling; Molecular dynamics; Molecules; Polymers; Simulations; Solid surfaces; Solvents; Thin films

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APA (6th Edition):

Ballamudi, R. K. (1997). Molecular simulations of solid surface-polymer solution interfaces (at segmental and chain scale). (Doctoral Dissertation). University of Florida. Retrieved from https://ufdc.ufl.edu/AA00035001

Chicago Manual of Style (16th Edition):

Ballamudi, Ravi Kiran. “Molecular simulations of solid surface-polymer solution interfaces (at segmental and chain scale).” 1997. Doctoral Dissertation, University of Florida. Accessed July 15, 2020. https://ufdc.ufl.edu/AA00035001.

MLA Handbook (7th Edition):

Ballamudi, Ravi Kiran. “Molecular simulations of solid surface-polymer solution interfaces (at segmental and chain scale).” 1997. Web. 15 Jul 2020.

Vancouver:

Ballamudi RK. Molecular simulations of solid surface-polymer solution interfaces (at segmental and chain scale). [Internet] [Doctoral dissertation]. University of Florida; 1997. [cited 2020 Jul 15]. Available from: https://ufdc.ufl.edu/AA00035001.

Council of Science Editors:

Ballamudi RK. Molecular simulations of solid surface-polymer solution interfaces (at segmental and chain scale). [Doctoral Dissertation]. University of Florida; 1997. Available from: https://ufdc.ufl.edu/AA00035001


University of Florida

15. Martinez, Jackelyn A. Methodologies and Tools for the Development of Empirical Potentials with Application for Nitrogen-Containing Systems.

Degree: PhD, Materials Science and Engineering, 2016, University of Florida

 Titanium nitride, a material system known for its high hardness, wear-resistance, corrosion resistance and extremely high melting temperature, has found widespread use in a variety… (more)

Subjects/Keywords: Atoms; Cost functions; Electrons; Energy; Mathematical independent variables; Molecules; Nitrogen; Oxides; Oxygen; Tin; carbon  – density  – development  – dynamics  – functional  – hydrogen  – molecular  – nitride  – nitrogen  – optimization  – oxide  – oxygen  – potential  – theory  – titanium

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APA (6th Edition):

Martinez, J. A. (2016). Methodologies and Tools for the Development of Empirical Potentials with Application for Nitrogen-Containing Systems. (Doctoral Dissertation). University of Florida. Retrieved from https://ufdc.ufl.edu/UFE0049877

Chicago Manual of Style (16th Edition):

Martinez, Jackelyn A. “Methodologies and Tools for the Development of Empirical Potentials with Application for Nitrogen-Containing Systems.” 2016. Doctoral Dissertation, University of Florida. Accessed July 15, 2020. https://ufdc.ufl.edu/UFE0049877.

MLA Handbook (7th Edition):

Martinez, Jackelyn A. “Methodologies and Tools for the Development of Empirical Potentials with Application for Nitrogen-Containing Systems.” 2016. Web. 15 Jul 2020.

Vancouver:

Martinez JA. Methodologies and Tools for the Development of Empirical Potentials with Application for Nitrogen-Containing Systems. [Internet] [Doctoral dissertation]. University of Florida; 2016. [cited 2020 Jul 15]. Available from: https://ufdc.ufl.edu/UFE0049877.

Council of Science Editors:

Martinez JA. Methodologies and Tools for the Development of Empirical Potentials with Application for Nitrogen-Containing Systems. [Doctoral Dissertation]. University of Florida; 2016. Available from: https://ufdc.ufl.edu/UFE0049877


University of Florida

16. Maroo, Shalabh. Nano-Scale Transport Mechanisms Associated with Three-Phase Contact Lines.

Degree: PhD, Mechanical Engineering - Mechanical and Aerospace Engineering, 2009, University of Florida

 Nucleate boiling is one of the most efficient heat transfer mechanisms and has been widely featured in many high heat-flux engineering applications. But, the knowledge… (more)

Subjects/Keywords: Argon; Atoms; Evaporation; Heat flux; Heat transfer; Liquids; Molecular dynamics; Simulations; Vapors; Wall temperature; boiling, constant, contact, droplet, dynamics, evaporation, hamaker, line, meniscus, molecular, nanochannel, thin, wall

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

APA (6th Edition):

Maroo, S. (2009). Nano-Scale Transport Mechanisms Associated with Three-Phase Contact Lines. (Doctoral Dissertation). University of Florida. Retrieved from https://ufdc.ufl.edu/UFE0041071

Chicago Manual of Style (16th Edition):

Maroo, Shalabh. “Nano-Scale Transport Mechanisms Associated with Three-Phase Contact Lines.” 2009. Doctoral Dissertation, University of Florida. Accessed July 15, 2020. https://ufdc.ufl.edu/UFE0041071.

MLA Handbook (7th Edition):

Maroo, Shalabh. “Nano-Scale Transport Mechanisms Associated with Three-Phase Contact Lines.” 2009. Web. 15 Jul 2020.

Vancouver:

Maroo S. Nano-Scale Transport Mechanisms Associated with Three-Phase Contact Lines. [Internet] [Doctoral dissertation]. University of Florida; 2009. [cited 2020 Jul 15]. Available from: https://ufdc.ufl.edu/UFE0041071.

Council of Science Editors:

Maroo S. Nano-Scale Transport Mechanisms Associated with Three-Phase Contact Lines. [Doctoral Dissertation]. University of Florida; 2009. Available from: https://ufdc.ufl.edu/UFE0041071


University of Florida

17. Sindhikara, Daniel. A Sampling of Molecular Dynamics.

Degree: PhD, Physics, 2009, University of Florida

 The sheer vastness of the number of computations required to simulate a biological molecule puts incredible pressure on algorithms to be efficient while maintaining sufficient… (more)

Subjects/Keywords: Atoms; Energy; Molecular dynamics; Molecules; Nickel; Potential energy; Simulations; Solvents; Temperature distribution; Trajectories; biomolecules, dynamics, enhanced, exchange, molecular, protein, replica, sampling, simulation

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APA (6th Edition):

Sindhikara, D. (2009). A Sampling of Molecular Dynamics. (Doctoral Dissertation). University of Florida. Retrieved from https://ufdc.ufl.edu/UFE0024269

Chicago Manual of Style (16th Edition):

Sindhikara, Daniel. “A Sampling of Molecular Dynamics.” 2009. Doctoral Dissertation, University of Florida. Accessed July 15, 2020. https://ufdc.ufl.edu/UFE0024269.

MLA Handbook (7th Edition):

Sindhikara, Daniel. “A Sampling of Molecular Dynamics.” 2009. Web. 15 Jul 2020.

Vancouver:

Sindhikara D. A Sampling of Molecular Dynamics. [Internet] [Doctoral dissertation]. University of Florida; 2009. [cited 2020 Jul 15]. Available from: https://ufdc.ufl.edu/UFE0024269.

Council of Science Editors:

Sindhikara D. A Sampling of Molecular Dynamics. [Doctoral Dissertation]. University of Florida; 2009. Available from: https://ufdc.ufl.edu/UFE0024269


University of Florida

18. Barry, Peter. Elucidation of Atomic Scale Mechanisms for Polytetrafluoroethylene Tribology Using Molecular Dynamics Simulation.

Degree: PhD, Materials Science and Engineering, 2009, University of Florida

 Polytetrafluoroethylene (PTFE) is a polymer that has been widely exploited commercially as a result of its low friction, non-stick properties. The polymer has found usage… (more)

Subjects/Keywords: Atoms; Carbon; Coefficient of friction; Friction; Molecular chains; Molecules; Polymers; Simulations; Sliding; Violins; atomistic, dynamics, friction, molecular, ptfe, simulation, tribology

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APA (6th Edition):

Barry, P. (2009). Elucidation of Atomic Scale Mechanisms for Polytetrafluoroethylene Tribology Using Molecular Dynamics Simulation. (Doctoral Dissertation). University of Florida. Retrieved from https://ufdc.ufl.edu/UFE0041118

Chicago Manual of Style (16th Edition):

Barry, Peter. “Elucidation of Atomic Scale Mechanisms for Polytetrafluoroethylene Tribology Using Molecular Dynamics Simulation.” 2009. Doctoral Dissertation, University of Florida. Accessed July 15, 2020. https://ufdc.ufl.edu/UFE0041118.

MLA Handbook (7th Edition):

Barry, Peter. “Elucidation of Atomic Scale Mechanisms for Polytetrafluoroethylene Tribology Using Molecular Dynamics Simulation.” 2009. Web. 15 Jul 2020.

Vancouver:

Barry P. Elucidation of Atomic Scale Mechanisms for Polytetrafluoroethylene Tribology Using Molecular Dynamics Simulation. [Internet] [Doctoral dissertation]. University of Florida; 2009. [cited 2020 Jul 15]. Available from: https://ufdc.ufl.edu/UFE0041118.

Council of Science Editors:

Barry P. Elucidation of Atomic Scale Mechanisms for Polytetrafluoroethylene Tribology Using Molecular Dynamics Simulation. [Doctoral Dissertation]. University of Florida; 2009. Available from: https://ufdc.ufl.edu/UFE0041118


University of Florida

19. Mohan, Gunjan. Multiscale Modeling of Self-Assembly in Surfactant Systems.

Degree: PhD, Chemical Engineering, 2008, University of Florida

Dynamics of self-assembly and structural transitions in amphiphilic systems play an important role in numerous processes, ranging from production of nanostructured materials to transport in… (more)

Subjects/Keywords: Coordinate systems; Free energy; Micelles; Modeling; Molecular dynamics; Molecules; Monomers; Self assembly; Simulations; Surfactants; assembly, colloids, constrained, disintegration, dynamics, energy, formation, free, ionic, kinetics, micelle, molecular, multiscale, nonionic, self, stochastic, surfactant

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

APA (6th Edition):

Mohan, G. (2008). Multiscale Modeling of Self-Assembly in Surfactant Systems. (Doctoral Dissertation). University of Florida. Retrieved from https://ufdc.ufl.edu/UFE0022571

Chicago Manual of Style (16th Edition):

Mohan, Gunjan. “Multiscale Modeling of Self-Assembly in Surfactant Systems.” 2008. Doctoral Dissertation, University of Florida. Accessed July 15, 2020. https://ufdc.ufl.edu/UFE0022571.

MLA Handbook (7th Edition):

Mohan, Gunjan. “Multiscale Modeling of Self-Assembly in Surfactant Systems.” 2008. Web. 15 Jul 2020.

Vancouver:

Mohan G. Multiscale Modeling of Self-Assembly in Surfactant Systems. [Internet] [Doctoral dissertation]. University of Florida; 2008. [cited 2020 Jul 15]. Available from: https://ufdc.ufl.edu/UFE0022571.

Council of Science Editors:

Mohan G. Multiscale Modeling of Self-Assembly in Surfactant Systems. [Doctoral Dissertation]. University of Florida; 2008. Available from: https://ufdc.ufl.edu/UFE0022571

20. Zhang, Chen. Molecular Dynamics Simulation of Nanoindentation Test of Corundum (A-Al2o3) on (0001) Surface.

Degree: MS, Mechanical Engineering - Mechanical and Aerospace Engineering, 2013, University of Florida

 Corundum (Al2O3) is a material with high hardness. So it is widely used in making cutting tools and armors. Lots of experiment tests have been… (more)

Subjects/Keywords: Atomic structure; Atoms; Boundary conditions; Cells; Conceptual lattices; Hardness; Modeling; Molecular dynamics; Simulations; Velocity; al2o3  – aluminum  – corundum  – dynamics  – lammps  – md  – mechanics  – molecular  – nanoindentation  – oxide  – simulation

…Partial Fulfillment of the Requirements for the Degree of Master of Science MOLECULAR DYNAMICS… …reaction during the loading. Molecular dynamics (MD) simulation is a powerful tool to… …Molecular Dynamics Simulation Principals of MD How the computational materials approach utilizes… …methods for the molecular dynamics simulation, Verlet and predictor-corrector are the two most… …Molecular Massively Parallel Simulator, is open source classical molecular dynamics code. It is… 

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APA (6th Edition):

Zhang, C. (2013). Molecular Dynamics Simulation of Nanoindentation Test of Corundum (A-Al2o3) on (0001) Surface. (Masters Thesis). University of Florida. Retrieved from https://ufdc.ufl.edu/UFE0045635

Chicago Manual of Style (16th Edition):

Zhang, Chen. “Molecular Dynamics Simulation of Nanoindentation Test of Corundum (A-Al2o3) on (0001) Surface.” 2013. Masters Thesis, University of Florida. Accessed July 15, 2020. https://ufdc.ufl.edu/UFE0045635.

MLA Handbook (7th Edition):

Zhang, Chen. “Molecular Dynamics Simulation of Nanoindentation Test of Corundum (A-Al2o3) on (0001) Surface.” 2013. Web. 15 Jul 2020.

Vancouver:

Zhang C. Molecular Dynamics Simulation of Nanoindentation Test of Corundum (A-Al2o3) on (0001) Surface. [Internet] [Masters thesis]. University of Florida; 2013. [cited 2020 Jul 15]. Available from: https://ufdc.ufl.edu/UFE0045635.

Council of Science Editors:

Zhang C. Molecular Dynamics Simulation of Nanoindentation Test of Corundum (A-Al2o3) on (0001) Surface. [Masters Thesis]. University of Florida; 2013. Available from: https://ufdc.ufl.edu/UFE0045635


University of Florida

21. Vilallonga, Eduardo F ( Eduardo Fermin ), 1953-. Energy transfer in molecular collisions.

Degree: 1981, University of Florida

Subjects/Keywords: Approximation; Arithmetic mean; Atomic interactions; Atoms; Coordinate systems; Energy transfer; Kinetics; Lead; Molecular rotation; Molecules; Charge transfer; Collisions (Nuclear physics); Molecular dynamics

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APA (6th Edition):

Vilallonga, Eduardo F ( Eduardo Fermin ), 1. (1981). Energy transfer in molecular collisions. (Thesis). University of Florida. Retrieved from https://ufdc.ufl.edu/AA00003461

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):

Vilallonga, Eduardo F ( Eduardo Fermin ), 1953-. “Energy transfer in molecular collisions.” 1981. Thesis, University of Florida. Accessed July 15, 2020. https://ufdc.ufl.edu/AA00003461.

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

MLA Handbook (7th Edition):

Vilallonga, Eduardo F ( Eduardo Fermin ), 1953-. “Energy transfer in molecular collisions.” 1981. Web. 15 Jul 2020.

Vancouver:

Vilallonga, Eduardo F ( Eduardo Fermin ) 1. Energy transfer in molecular collisions. [Internet] [Thesis]. University of Florida; 1981. [cited 2020 Jul 15]. Available from: https://ufdc.ufl.edu/AA00003461.

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

Council of Science Editors:

Vilallonga, Eduardo F ( Eduardo Fermin ) 1. Energy transfer in molecular collisions. [Thesis]. University of Florida; 1981. Available from: https://ufdc.ufl.edu/AA00003461

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


University of Florida

22. Carolan, James Lynn, 1943-. A nuclear relaxation study of molecular motion in liquid and solid ammonia.

Degree: 1969, University of Florida

Subjects/Keywords: Ammonia; Liquids; Magnetic fields; Magnetism; Molecular interactions; Molecules; Nitrogen; Protons; Quadrupoles; Retraining; Ammonia; Molecular dynamics; Nuclear magnetic resonance; Physics thesis Ph. D

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APA (6th Edition):

Carolan, James Lynn, 1. (1969). A nuclear relaxation study of molecular motion in liquid and solid ammonia. (Thesis). University of Florida. Retrieved from https://ufdc.ufl.edu/AA00026651

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):

Carolan, James Lynn, 1943-. “A nuclear relaxation study of molecular motion in liquid and solid ammonia.” 1969. Thesis, University of Florida. Accessed July 15, 2020. https://ufdc.ufl.edu/AA00026651.

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

MLA Handbook (7th Edition):

Carolan, James Lynn, 1943-. “A nuclear relaxation study of molecular motion in liquid and solid ammonia.” 1969. Web. 15 Jul 2020.

Vancouver:

Carolan, James Lynn 1. A nuclear relaxation study of molecular motion in liquid and solid ammonia. [Internet] [Thesis]. University of Florida; 1969. [cited 2020 Jul 15]. Available from: https://ufdc.ufl.edu/AA00026651.

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

Council of Science Editors:

Carolan, James Lynn 1. A nuclear relaxation study of molecular motion in liquid and solid ammonia. [Thesis]. University of Florida; 1969. Available from: https://ufdc.ufl.edu/AA00026651

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


University of Florida

23. Srivastava, Deepak, 1957-. Photodynamics of extended polyatomic systems.

Degree: 1988, University of Florida

Subjects/Keywords: Approximation; Coordinate systems; Electric fields; Electronics; Fourier transformations; Lighting; Molecular interactions; Photons; Potential energy; Vibrational states; Lasers; Molecular dynamics; Physics thesis Ph. D; Quantum theory

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APA (6th Edition):

Srivastava, Deepak, 1. (1988). Photodynamics of extended polyatomic systems. (Thesis). University of Florida. Retrieved from https://ufdc.ufl.edu/AA00047454

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):

Srivastava, Deepak, 1957-. “Photodynamics of extended polyatomic systems.” 1988. Thesis, University of Florida. Accessed July 15, 2020. https://ufdc.ufl.edu/AA00047454.

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

MLA Handbook (7th Edition):

Srivastava, Deepak, 1957-. “Photodynamics of extended polyatomic systems.” 1988. Web. 15 Jul 2020.

Vancouver:

Srivastava, Deepak 1. Photodynamics of extended polyatomic systems. [Internet] [Thesis]. University of Florida; 1988. [cited 2020 Jul 15]. Available from: https://ufdc.ufl.edu/AA00047454.

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

Council of Science Editors:

Srivastava, Deepak 1. Photodynamics of extended polyatomic systems. [Thesis]. University of Florida; 1988. Available from: https://ufdc.ufl.edu/AA00047454

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


University of Florida

24. Wohlwend, Jennifer. Computational Study of the Deposition of Metal-Oxide Thin Films on Strontium Titanate Morphology and Growth Modes.

Degree: PhD, Materials Science and Engineering, 2009, University of Florida

 SrTiO3 and its component oxides have been deposited on SrTiO3 (100) using molecular dynamics simulations. SrO thin films have been shown to grow in a… (more)

Subjects/Keywords: Adatoms; Anatase; Atoms; Molecular dynamics; Oxygen; Particle beams; Particle interactions; Simulations; Strontium titanates; Thin films; deposition, growth, morphology, simulation, srtio3

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APA (6th Edition):

Wohlwend, J. (2009). Computational Study of the Deposition of Metal-Oxide Thin Films on Strontium Titanate Morphology and Growth Modes. (Doctoral Dissertation). University of Florida. Retrieved from https://ufdc.ufl.edu/UFE0024973

Chicago Manual of Style (16th Edition):

Wohlwend, Jennifer. “Computational Study of the Deposition of Metal-Oxide Thin Films on Strontium Titanate Morphology and Growth Modes.” 2009. Doctoral Dissertation, University of Florida. Accessed July 15, 2020. https://ufdc.ufl.edu/UFE0024973.

MLA Handbook (7th Edition):

Wohlwend, Jennifer. “Computational Study of the Deposition of Metal-Oxide Thin Films on Strontium Titanate Morphology and Growth Modes.” 2009. Web. 15 Jul 2020.

Vancouver:

Wohlwend J. Computational Study of the Deposition of Metal-Oxide Thin Films on Strontium Titanate Morphology and Growth Modes. [Internet] [Doctoral dissertation]. University of Florida; 2009. [cited 2020 Jul 15]. Available from: https://ufdc.ufl.edu/UFE0024973.

Council of Science Editors:

Wohlwend J. Computational Study of the Deposition of Metal-Oxide Thin Films on Strontium Titanate Morphology and Growth Modes. [Doctoral Dissertation]. University of Florida; 2009. Available from: https://ufdc.ufl.edu/UFE0024973


University of Florida

25. Mcgee, Terry. Molecular Dynamics Study of the Conformational Dynamics of HIV-1 Protease Subtypes A, B, C, and F.

Degree: MS, Chemistry, 2010, University of Florida

 Each year AIDS is responsible for millions of deaths worldwide. One of the major targets in anti-HIV therapeutics is protease inhibition. The HIV protease plays… (more)

Subjects/Keywords: Active sites; Coordinate systems; Crystal structure; Histograms; HIV; HIV 1; Molecular dynamics; Monomers; Simulations; Velocity

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

APA (6th Edition):

Mcgee, T. (2010). Molecular Dynamics Study of the Conformational Dynamics of HIV-1 Protease Subtypes A, B, C, and F. (Masters Thesis). University of Florida. Retrieved from https://ufdc.ufl.edu/UFE0042614

Chicago Manual of Style (16th Edition):

Mcgee, Terry. “Molecular Dynamics Study of the Conformational Dynamics of HIV-1 Protease Subtypes A, B, C, and F.” 2010. Masters Thesis, University of Florida. Accessed July 15, 2020. https://ufdc.ufl.edu/UFE0042614.

MLA Handbook (7th Edition):

Mcgee, Terry. “Molecular Dynamics Study of the Conformational Dynamics of HIV-1 Protease Subtypes A, B, C, and F.” 2010. Web. 15 Jul 2020.

Vancouver:

Mcgee T. Molecular Dynamics Study of the Conformational Dynamics of HIV-1 Protease Subtypes A, B, C, and F. [Internet] [Masters thesis]. University of Florida; 2010. [cited 2020 Jul 15]. Available from: https://ufdc.ufl.edu/UFE0042614.

Council of Science Editors:

Mcgee T. Molecular Dynamics Study of the Conformational Dynamics of HIV-1 Protease Subtypes A, B, C, and F. [Masters Thesis]. University of Florida; 2010. Available from: https://ufdc.ufl.edu/UFE0042614


University of Florida

26. Longo, Ricardo Luiz, 1964-. Exploring a new time-dependent method for molecular quantum dynamics.

Degree: 1993, University of Florida

Subjects/Keywords: Approximation; Atoms; Charge transfer; Electronics; Electrons; Energy; Orbitals; Potential energy; Structural deflection; Trajectories; Chemistry thesis Ph. D; Molecular dynamics; Quantum theory

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APA (6th Edition):

Longo, Ricardo Luiz, 1. (1993). Exploring a new time-dependent method for molecular quantum dynamics. (Thesis). University of Florida. Retrieved from https://ufdc.ufl.edu/AA00038014

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):

Longo, Ricardo Luiz, 1964-. “Exploring a new time-dependent method for molecular quantum dynamics.” 1993. Thesis, University of Florida. Accessed July 15, 2020. https://ufdc.ufl.edu/AA00038014.

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

MLA Handbook (7th Edition):

Longo, Ricardo Luiz, 1964-. “Exploring a new time-dependent method for molecular quantum dynamics.” 1993. Web. 15 Jul 2020.

Vancouver:

Longo, Ricardo Luiz 1. Exploring a new time-dependent method for molecular quantum dynamics. [Internet] [Thesis]. University of Florida; 1993. [cited 2020 Jul 15]. Available from: https://ufdc.ufl.edu/AA00038014.

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

Council of Science Editors:

Longo, Ricardo Luiz 1. Exploring a new time-dependent method for molecular quantum dynamics. [Thesis]. University of Florida; 1993. Available from: https://ufdc.ufl.edu/AA00038014

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


University of Florida

27. Chiu, Patrick. Computational Modeling of Atomistic Phenomena at the Interface.

Degree: PhD, Materials Science and Engineering, 2009, University of Florida

 As the design of devices and applications becomes increasing complex, the interfaces of advanced materials have a pervasive influence on a variety of engineered properties.… (more)

Subjects/Keywords: Adhesives; Atoms; Coefficient of friction; Counter rotation; Crosslinking; Grain boundaries; Micelles; Simulations; Sliding; Surfactants; dynamics, molecular, tribology

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

APA (6th Edition):

Chiu, P. (2009). Computational Modeling of Atomistic Phenomena at the Interface. (Doctoral Dissertation). University of Florida. Retrieved from https://ufdc.ufl.edu/UFE0024892

Chicago Manual of Style (16th Edition):

Chiu, Patrick. “Computational Modeling of Atomistic Phenomena at the Interface.” 2009. Doctoral Dissertation, University of Florida. Accessed July 15, 2020. https://ufdc.ufl.edu/UFE0024892.

MLA Handbook (7th Edition):

Chiu, Patrick. “Computational Modeling of Atomistic Phenomena at the Interface.” 2009. Web. 15 Jul 2020.

Vancouver:

Chiu P. Computational Modeling of Atomistic Phenomena at the Interface. [Internet] [Doctoral dissertation]. University of Florida; 2009. [cited 2020 Jul 15]. Available from: https://ufdc.ufl.edu/UFE0024892.

Council of Science Editors:

Chiu P. Computational Modeling of Atomistic Phenomena at the Interface. [Doctoral Dissertation]. University of Florida; 2009. Available from: https://ufdc.ufl.edu/UFE0024892


University of Florida

28. Yi, Zhigang, 1964-. Computational aspects of the quantum molecular dynamics of adsorbates.

Degree: PhD, Physics, 1998, University of Florida

Subjects/Keywords: Coordinate systems; Desorption; Electric fields; Electronics; Fluence; Isotopes; Molecules; Potential energy; Pulses; Time dependence; Molecular dynamics

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APA (6th Edition):

Yi, Zhigang, 1. (1998). Computational aspects of the quantum molecular dynamics of adsorbates. (Doctoral Dissertation). University of Florida. Retrieved from https://ufdc.ufl.edu/AA00038397

Chicago Manual of Style (16th Edition):

Yi, Zhigang, 1964-. “Computational aspects of the quantum molecular dynamics of adsorbates.” 1998. Doctoral Dissertation, University of Florida. Accessed July 15, 2020. https://ufdc.ufl.edu/AA00038397.

MLA Handbook (7th Edition):

Yi, Zhigang, 1964-. “Computational aspects of the quantum molecular dynamics of adsorbates.” 1998. Web. 15 Jul 2020.

Vancouver:

Yi, Zhigang 1. Computational aspects of the quantum molecular dynamics of adsorbates. [Internet] [Doctoral dissertation]. University of Florida; 1998. [cited 2020 Jul 15]. Available from: https://ufdc.ufl.edu/AA00038397.

Council of Science Editors:

Yi, Zhigang 1. Computational aspects of the quantum molecular dynamics of adsorbates. [Doctoral Dissertation]. University of Florida; 1998. Available from: https://ufdc.ufl.edu/AA00038397


University of Florida

29. Kemper, Travis William. Molecular Dynamics Method Development and Simulations of Molecule-Polymer Interactions.

Degree: PhD, Materials Science and Engineering, 2011, University of Florida

 Modifying the surface of a material can alter its chemical resistance, frictional properties, biocampatability, adhesive properties and electrical properties, while maintaining the bulk properties. Treatments… (more)

Subjects/Keywords: Argon; Atoms; Carbon; Energy; Hydrogen; Molecules; Oxygen; Polymers; Simulations; Thiophenes; assisted  – beam  – bond  – deposition  – dynamics  – electronics  – empirical  – film  – hydrocarbon  – interaction  – interactions  – ion  – modification  – molecular  – oligomer  – oligomers  – order  – organic  – plasma  – polymer  – polymerization  – potential  – reactive  – rebo  – sexithiophene  – simulation  – spiad  – sulfur  – surface  – terthiophene  – thin  – thiophene

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APA (6th Edition):

Kemper, T. W. (2011). Molecular Dynamics Method Development and Simulations of Molecule-Polymer Interactions. (Doctoral Dissertation). University of Florida. Retrieved from https://ufdc.ufl.edu/UFE0043360

Chicago Manual of Style (16th Edition):

Kemper, Travis William. “Molecular Dynamics Method Development and Simulations of Molecule-Polymer Interactions.” 2011. Doctoral Dissertation, University of Florida. Accessed July 15, 2020. https://ufdc.ufl.edu/UFE0043360.

MLA Handbook (7th Edition):

Kemper, Travis William. “Molecular Dynamics Method Development and Simulations of Molecule-Polymer Interactions.” 2011. Web. 15 Jul 2020.

Vancouver:

Kemper TW. Molecular Dynamics Method Development and Simulations of Molecule-Polymer Interactions. [Internet] [Doctoral dissertation]. University of Florida; 2011. [cited 2020 Jul 15]. Available from: https://ufdc.ufl.edu/UFE0043360.

Council of Science Editors:

Kemper TW. Molecular Dynamics Method Development and Simulations of Molecule-Polymer Interactions. [Doctoral Dissertation]. University of Florida; 2011. Available from: https://ufdc.ufl.edu/UFE0043360


University of Florida

30. Wang, Shikai. Molecular Dynamics Study of Thermal Conductivity of Bismuth Telluride.

Degree: MS, Mechanical Engineering - Mechanical and Aerospace Engineering, 2013, University of Florida

 Bismuth telluride (Bi2Te3) is one of the best thermoelectric materials at room temperature. Since the crystal structure of Bi2Te3 is very complicated and hard to… (more)

Subjects/Keywords: Atoms; Conceptual lattices; Crystals; Grain boundaries; Heat flux; Modeling; Simulations; Temperature distribution; Temperature gradients; Thermal conductivity; bicrystal  – bismuth  – boundary  – conductance  – conductivity  – crystal  – direct  – dynamics  – grain  – kapitza  – md  – method  – molecular  – resistance  – single  – telluride  – thermal  – twin

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

APA (6th Edition):

Wang, S. (2013). Molecular Dynamics Study of Thermal Conductivity of Bismuth Telluride. (Masters Thesis). University of Florida. Retrieved from https://ufdc.ufl.edu/UFE0045623

Chicago Manual of Style (16th Edition):

Wang, Shikai. “Molecular Dynamics Study of Thermal Conductivity of Bismuth Telluride.” 2013. Masters Thesis, University of Florida. Accessed July 15, 2020. https://ufdc.ufl.edu/UFE0045623.

MLA Handbook (7th Edition):

Wang, Shikai. “Molecular Dynamics Study of Thermal Conductivity of Bismuth Telluride.” 2013. Web. 15 Jul 2020.

Vancouver:

Wang S. Molecular Dynamics Study of Thermal Conductivity of Bismuth Telluride. [Internet] [Masters thesis]. University of Florida; 2013. [cited 2020 Jul 15]. Available from: https://ufdc.ufl.edu/UFE0045623.

Council of Science Editors:

Wang S. Molecular Dynamics Study of Thermal Conductivity of Bismuth Telluride. [Masters Thesis]. University of Florida; 2013. Available from: https://ufdc.ufl.edu/UFE0045623

[1] [2]

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