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University: Penn State University

You searched for subject:(Molecular Dynamics). Showing records 1 – 30 of 48 total matches.

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Penn State University

1. Chen, You-han. Investigating The Aggregation Effect in Nanofluids by Molecular Dynamics.

Degree: MS, Chemical Engineering, 2013, Penn State University

 Nanofluids have been proposed to have superior heat transfer ability than typical coolant, but the mechanisms of thermal conductivity enhancement still remain obsecure. This study,… (more)

Subjects/Keywords: Nanofluids; Molecular Dynamics; Thermal Conductivity

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APA (6th Edition):

Chen, Y. (2013). Investigating The Aggregation Effect in Nanofluids by Molecular Dynamics. (Masters Thesis). Penn State University. Retrieved from https://etda.libraries.psu.edu/catalog/19733

Chicago Manual of Style (16th Edition):

Chen, You-han. “Investigating The Aggregation Effect in Nanofluids by Molecular Dynamics.” 2013. Masters Thesis, Penn State University. Accessed July 05, 2020. https://etda.libraries.psu.edu/catalog/19733.

MLA Handbook (7th Edition):

Chen, You-han. “Investigating The Aggregation Effect in Nanofluids by Molecular Dynamics.” 2013. Web. 05 Jul 2020.

Vancouver:

Chen Y. Investigating The Aggregation Effect in Nanofluids by Molecular Dynamics. [Internet] [Masters thesis]. Penn State University; 2013. [cited 2020 Jul 05]. Available from: https://etda.libraries.psu.edu/catalog/19733.

Council of Science Editors:

Chen Y. Investigating The Aggregation Effect in Nanofluids by Molecular Dynamics. [Masters Thesis]. Penn State University; 2013. Available from: https://etda.libraries.psu.edu/catalog/19733


Penn State University

2. Boland, Erin Katherine. APPLICATION OF THE POLARIZATION MODEL TO.

Degree: MS, Chemical Engineering, 2010, Penn State University

 Fuel cells represent an appealing improvement for energy conversion in transportation applications, offering better fuel economy and lower emissions. In order for the wide scale… (more)

Subjects/Keywords: molecular dynamics simulation; electrochemical interface

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APA (6th Edition):

Boland, E. K. (2010). APPLICATION OF THE POLARIZATION MODEL TO. (Masters Thesis). Penn State University. Retrieved from https://etda.libraries.psu.edu/catalog/10825

Chicago Manual of Style (16th Edition):

Boland, Erin Katherine. “APPLICATION OF THE POLARIZATION MODEL TO.” 2010. Masters Thesis, Penn State University. Accessed July 05, 2020. https://etda.libraries.psu.edu/catalog/10825.

MLA Handbook (7th Edition):

Boland, Erin Katherine. “APPLICATION OF THE POLARIZATION MODEL TO.” 2010. Web. 05 Jul 2020.

Vancouver:

Boland EK. APPLICATION OF THE POLARIZATION MODEL TO. [Internet] [Masters thesis]. Penn State University; 2010. [cited 2020 Jul 05]. Available from: https://etda.libraries.psu.edu/catalog/10825.

Council of Science Editors:

Boland EK. APPLICATION OF THE POLARIZATION MODEL TO. [Masters Thesis]. Penn State University; 2010. Available from: https://etda.libraries.psu.edu/catalog/10825


Penn State University

3. Borner, Arnaud. DROPLET VAPORIZATION OF N-HEPTANE IN SUBCRITICAL CONDITIONS USING MOLECULAR DYNAMICS.

Degree: MS, Aerospace Engineering, 2009, Penn State University

 The vaporization of a n-Heptane (C7H16) droplet is investigated using Molecular Dynamics (MD). Inter-molecular and intra-molecular forces are incorporated using the Lennard-Jones 12-6 and a… (more)

Subjects/Keywords: n-heptane; vaporization; Droplets; molecular dynamics

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APA (6th Edition):

Borner, A. (2009). DROPLET VAPORIZATION OF N-HEPTANE IN SUBCRITICAL CONDITIONS USING MOLECULAR DYNAMICS. (Masters Thesis). Penn State University. Retrieved from https://etda.libraries.psu.edu/catalog/9637

Chicago Manual of Style (16th Edition):

Borner, Arnaud. “DROPLET VAPORIZATION OF N-HEPTANE IN SUBCRITICAL CONDITIONS USING MOLECULAR DYNAMICS.” 2009. Masters Thesis, Penn State University. Accessed July 05, 2020. https://etda.libraries.psu.edu/catalog/9637.

MLA Handbook (7th Edition):

Borner, Arnaud. “DROPLET VAPORIZATION OF N-HEPTANE IN SUBCRITICAL CONDITIONS USING MOLECULAR DYNAMICS.” 2009. Web. 05 Jul 2020.

Vancouver:

Borner A. DROPLET VAPORIZATION OF N-HEPTANE IN SUBCRITICAL CONDITIONS USING MOLECULAR DYNAMICS. [Internet] [Masters thesis]. Penn State University; 2009. [cited 2020 Jul 05]. Available from: https://etda.libraries.psu.edu/catalog/9637.

Council of Science Editors:

Borner A. DROPLET VAPORIZATION OF N-HEPTANE IN SUBCRITICAL CONDITIONS USING MOLECULAR DYNAMICS. [Masters Thesis]. Penn State University; 2009. Available from: https://etda.libraries.psu.edu/catalog/9637


Penn State University

4. Petrilla, Brad A. Droplet Vaporization of n-Heptane Using Molecular Dynamics.

Degree: MS, Aerospace Engineering, 2008, Penn State University

 The vaporization of an n-Heptane (C7H16) droplet is investigated using Molecular Dynamics (MD). This work is one of the first MD droplet vaporization studies done… (more)

Subjects/Keywords: droplet vaporization; n-heptane; Molecular Dynamics

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APA (6th Edition):

Petrilla, B. A. (2008). Droplet Vaporization of n-Heptane Using Molecular Dynamics. (Masters Thesis). Penn State University. Retrieved from https://etda.libraries.psu.edu/catalog/8833

Chicago Manual of Style (16th Edition):

Petrilla, Brad A. “Droplet Vaporization of n-Heptane Using Molecular Dynamics.” 2008. Masters Thesis, Penn State University. Accessed July 05, 2020. https://etda.libraries.psu.edu/catalog/8833.

MLA Handbook (7th Edition):

Petrilla, Brad A. “Droplet Vaporization of n-Heptane Using Molecular Dynamics.” 2008. Web. 05 Jul 2020.

Vancouver:

Petrilla BA. Droplet Vaporization of n-Heptane Using Molecular Dynamics. [Internet] [Masters thesis]. Penn State University; 2008. [cited 2020 Jul 05]. Available from: https://etda.libraries.psu.edu/catalog/8833.

Council of Science Editors:

Petrilla BA. Droplet Vaporization of n-Heptane Using Molecular Dynamics. [Masters Thesis]. Penn State University; 2008. Available from: https://etda.libraries.psu.edu/catalog/8833


Penn State University

5. Muddana, Hari Shankar. Molecular scale spectroscopy and simulation of stressed lipid bilayers.

Degree: PhD, Bioengineering, 2010, Penn State University

 Lipid-lipid interactions play a very important role in mediating membrane protein activity, through alterations in membrane physical properties or lateral phase separation. However, the underlying… (more)

Subjects/Keywords: lipid bilayers; molecular dynamics; fluorescence spectroscopy; membranes

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APA (6th Edition):

Muddana, H. S. (2010). Molecular scale spectroscopy and simulation of stressed lipid bilayers. (Doctoral Dissertation). Penn State University. Retrieved from https://etda.libraries.psu.edu/catalog/11446

Chicago Manual of Style (16th Edition):

Muddana, Hari Shankar. “Molecular scale spectroscopy and simulation of stressed lipid bilayers.” 2010. Doctoral Dissertation, Penn State University. Accessed July 05, 2020. https://etda.libraries.psu.edu/catalog/11446.

MLA Handbook (7th Edition):

Muddana, Hari Shankar. “Molecular scale spectroscopy and simulation of stressed lipid bilayers.” 2010. Web. 05 Jul 2020.

Vancouver:

Muddana HS. Molecular scale spectroscopy and simulation of stressed lipid bilayers. [Internet] [Doctoral dissertation]. Penn State University; 2010. [cited 2020 Jul 05]. Available from: https://etda.libraries.psu.edu/catalog/11446.

Council of Science Editors:

Muddana HS. Molecular scale spectroscopy and simulation of stressed lipid bilayers. [Doctoral Dissertation]. Penn State University; 2010. Available from: https://etda.libraries.psu.edu/catalog/11446


Penn State University

6. Joshi, Kaushik. Development and application of Reaxff reactive force field for hydrocarbon cracking on an aluminosilicate zeolite catalyst.

Degree: PhD, Mechanical Engineering, 2012, Penn State University

 A ReaxFF reactive force field method was used to investigate catalytic cracking of hydrocarbons inside HZSM-5 zeolite. The force field parameters for Al/Si/O interactions were… (more)

Subjects/Keywords: molecular dynamics; reactive force field; hydrocarbon cracking

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APA (6th Edition):

Joshi, K. (2012). Development and application of Reaxff reactive force field for hydrocarbon cracking on an aluminosilicate zeolite catalyst. (Doctoral Dissertation). Penn State University. Retrieved from https://etda.libraries.psu.edu/catalog/15232

Chicago Manual of Style (16th Edition):

Joshi, Kaushik. “Development and application of Reaxff reactive force field for hydrocarbon cracking on an aluminosilicate zeolite catalyst.” 2012. Doctoral Dissertation, Penn State University. Accessed July 05, 2020. https://etda.libraries.psu.edu/catalog/15232.

MLA Handbook (7th Edition):

Joshi, Kaushik. “Development and application of Reaxff reactive force field for hydrocarbon cracking on an aluminosilicate zeolite catalyst.” 2012. Web. 05 Jul 2020.

Vancouver:

Joshi K. Development and application of Reaxff reactive force field for hydrocarbon cracking on an aluminosilicate zeolite catalyst. [Internet] [Doctoral dissertation]. Penn State University; 2012. [cited 2020 Jul 05]. Available from: https://etda.libraries.psu.edu/catalog/15232.

Council of Science Editors:

Joshi K. Development and application of Reaxff reactive force field for hydrocarbon cracking on an aluminosilicate zeolite catalyst. [Doctoral Dissertation]. Penn State University; 2012. Available from: https://etda.libraries.psu.edu/catalog/15232


Penn State University

7. Liu, Shih. Shape-Selective Syntheses of Gold and Copper Nanostructures: Insights from Density-Functional Theory and Molecular Dynamics.

Degree: 2017, Penn State University

 Density-functional theory (DFT) and molecular dynamics (MD) were used to resolvethe origins of shape-selective syntheses of {111}-faceted Au nanostructures mediated by polyvinylpyrrolidone (PVP) as well… (more)

Subjects/Keywords: hexadecylamine; copper; nanostructure; force field; molecular dynamics; hexadecylamine; copper; nanostructure; density-functional theory; force field; molecular dynamics; polyvinylpyrrolidone; gold; reconstruction

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APA (6th Edition):

Liu, S. (2017). Shape-Selective Syntheses of Gold and Copper Nanostructures: Insights from Density-Functional Theory and Molecular Dynamics. (Thesis). Penn State University. Retrieved from https://etda.libraries.psu.edu/catalog/14385sxl409

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):

Liu, Shih. “Shape-Selective Syntheses of Gold and Copper Nanostructures: Insights from Density-Functional Theory and Molecular Dynamics.” 2017. Thesis, Penn State University. Accessed July 05, 2020. https://etda.libraries.psu.edu/catalog/14385sxl409.

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

MLA Handbook (7th Edition):

Liu, Shih. “Shape-Selective Syntheses of Gold and Copper Nanostructures: Insights from Density-Functional Theory and Molecular Dynamics.” 2017. Web. 05 Jul 2020.

Vancouver:

Liu S. Shape-Selective Syntheses of Gold and Copper Nanostructures: Insights from Density-Functional Theory and Molecular Dynamics. [Internet] [Thesis]. Penn State University; 2017. [cited 2020 Jul 05]. Available from: https://etda.libraries.psu.edu/catalog/14385sxl409.

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

Council of Science Editors:

Liu S. Shape-Selective Syntheses of Gold and Copper Nanostructures: Insights from Density-Functional Theory and Molecular Dynamics. [Thesis]. Penn State University; 2017. Available from: https://etda.libraries.psu.edu/catalog/14385sxl409

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


Penn State University

8. Golkaram, Mahdi. Application of Reactive Molecular Dynamics in Biomaterial Science and Computational Biology.

Degree: MS, Mechanical Engineering, 2014, Penn State University

 In this thesis, the potential applications of reactive molecular dynamics in computational biology have been evaluated. Within the last three decades a considerable amount of… (more)

Subjects/Keywords: Reactive Molecular Dynamics; Computational Biology; Protein Denaturation; Graphene Oxide Toxicity

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APA (6th Edition):

Golkaram, M. (2014). Application of Reactive Molecular Dynamics in Biomaterial Science and Computational Biology. (Masters Thesis). Penn State University. Retrieved from https://etda.libraries.psu.edu/catalog/21213

Chicago Manual of Style (16th Edition):

Golkaram, Mahdi. “Application of Reactive Molecular Dynamics in Biomaterial Science and Computational Biology.” 2014. Masters Thesis, Penn State University. Accessed July 05, 2020. https://etda.libraries.psu.edu/catalog/21213.

MLA Handbook (7th Edition):

Golkaram, Mahdi. “Application of Reactive Molecular Dynamics in Biomaterial Science and Computational Biology.” 2014. Web. 05 Jul 2020.

Vancouver:

Golkaram M. Application of Reactive Molecular Dynamics in Biomaterial Science and Computational Biology. [Internet] [Masters thesis]. Penn State University; 2014. [cited 2020 Jul 05]. Available from: https://etda.libraries.psu.edu/catalog/21213.

Council of Science Editors:

Golkaram M. Application of Reactive Molecular Dynamics in Biomaterial Science and Computational Biology. [Masters Thesis]. Penn State University; 2014. Available from: https://etda.libraries.psu.edu/catalog/21213


Penn State University

9. Borner, Arnaud. Use of Advanced Particle Methods in Modeling Space Propulsion and its Supersonic Expansions.

Degree: PhD, Aerospace Engineering, 2014, Penn State University

 This research discusses the use of advanced kinetic particle methods such as Molecular Dynamics (MD) and direct simulation Monte Carlo (DSMC) to model space propulsion… (more)

Subjects/Keywords: Molecular Dynamics; Water; Electrospray; DSMC; Electric Field; Ionic Liquid; Coarse-Grained

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APA (6th Edition):

Borner, A. (2014). Use of Advanced Particle Methods in Modeling Space Propulsion and its Supersonic Expansions. (Doctoral Dissertation). Penn State University. Retrieved from https://etda.libraries.psu.edu/catalog/22611

Chicago Manual of Style (16th Edition):

Borner, Arnaud. “Use of Advanced Particle Methods in Modeling Space Propulsion and its Supersonic Expansions.” 2014. Doctoral Dissertation, Penn State University. Accessed July 05, 2020. https://etda.libraries.psu.edu/catalog/22611.

MLA Handbook (7th Edition):

Borner, Arnaud. “Use of Advanced Particle Methods in Modeling Space Propulsion and its Supersonic Expansions.” 2014. Web. 05 Jul 2020.

Vancouver:

Borner A. Use of Advanced Particle Methods in Modeling Space Propulsion and its Supersonic Expansions. [Internet] [Doctoral dissertation]. Penn State University; 2014. [cited 2020 Jul 05]. Available from: https://etda.libraries.psu.edu/catalog/22611.

Council of Science Editors:

Borner A. Use of Advanced Particle Methods in Modeling Space Propulsion and its Supersonic Expansions. [Doctoral Dissertation]. Penn State University; 2014. Available from: https://etda.libraries.psu.edu/catalog/22611


Penn State University

10. Hong, Sung Wook. ATOMISTIC-SCALE INVESTIGATION OF THE GROWTH KINETICS OF ALUMINUM OXIDE LAYERS ON ALUMINUM NANOPARTICLES AND GERMANIUM-BASED SEMICONDUCTORS USING THE REAXFF REACTIVE FORCE FIELD.

Degree: PhD, Mechanical Engineering, 2016, Penn State University

 In this dissertation, the ReaxFF potential was employed to investigate the complex surface chemistry of two nano-scale systems, including growth of aluminum oxide (Al2O3) layers… (more)

Subjects/Keywords: ReaxFF; Molecular Dynamics Simulations; Aluminum oxide layer; Aluminum nanoparticles; Ge slab

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APA (6th Edition):

Hong, S. W. (2016). ATOMISTIC-SCALE INVESTIGATION OF THE GROWTH KINETICS OF ALUMINUM OXIDE LAYERS ON ALUMINUM NANOPARTICLES AND GERMANIUM-BASED SEMICONDUCTORS USING THE REAXFF REACTIVE FORCE FIELD. (Doctoral Dissertation). Penn State University. Retrieved from https://etda.libraries.psu.edu/catalog/ft848q60n

Chicago Manual of Style (16th Edition):

Hong, Sung Wook. “ATOMISTIC-SCALE INVESTIGATION OF THE GROWTH KINETICS OF ALUMINUM OXIDE LAYERS ON ALUMINUM NANOPARTICLES AND GERMANIUM-BASED SEMICONDUCTORS USING THE REAXFF REACTIVE FORCE FIELD.” 2016. Doctoral Dissertation, Penn State University. Accessed July 05, 2020. https://etda.libraries.psu.edu/catalog/ft848q60n.

MLA Handbook (7th Edition):

Hong, Sung Wook. “ATOMISTIC-SCALE INVESTIGATION OF THE GROWTH KINETICS OF ALUMINUM OXIDE LAYERS ON ALUMINUM NANOPARTICLES AND GERMANIUM-BASED SEMICONDUCTORS USING THE REAXFF REACTIVE FORCE FIELD.” 2016. Web. 05 Jul 2020.

Vancouver:

Hong SW. ATOMISTIC-SCALE INVESTIGATION OF THE GROWTH KINETICS OF ALUMINUM OXIDE LAYERS ON ALUMINUM NANOPARTICLES AND GERMANIUM-BASED SEMICONDUCTORS USING THE REAXFF REACTIVE FORCE FIELD. [Internet] [Doctoral dissertation]. Penn State University; 2016. [cited 2020 Jul 05]. Available from: https://etda.libraries.psu.edu/catalog/ft848q60n.

Council of Science Editors:

Hong SW. ATOMISTIC-SCALE INVESTIGATION OF THE GROWTH KINETICS OF ALUMINUM OXIDE LAYERS ON ALUMINUM NANOPARTICLES AND GERMANIUM-BASED SEMICONDUCTORS USING THE REAXFF REACTIVE FORCE FIELD. [Doctoral Dissertation]. Penn State University; 2016. Available from: https://etda.libraries.psu.edu/catalog/ft848q60n


Penn State University

11. Branam, Richard. Molecular Dynamics Simulation of Supercritical Fluids.

Degree: PhD, Aerospace Engineering, 2005, Penn State University

 Axisymmetric injectors appear in a multitude of applications ranging from rocket engines to biotechnology. While experimentation is limited to larger injectors, much interest has been… (more)

Subjects/Keywords: molecular dynamics poiseuille flow

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APA (6th Edition):

Branam, R. (2005). Molecular Dynamics Simulation of Supercritical Fluids. (Doctoral Dissertation). Penn State University. Retrieved from https://etda.libraries.psu.edu/catalog/6657

Chicago Manual of Style (16th Edition):

Branam, Richard. “Molecular Dynamics Simulation of Supercritical Fluids.” 2005. Doctoral Dissertation, Penn State University. Accessed July 05, 2020. https://etda.libraries.psu.edu/catalog/6657.

MLA Handbook (7th Edition):

Branam, Richard. “Molecular Dynamics Simulation of Supercritical Fluids.” 2005. Web. 05 Jul 2020.

Vancouver:

Branam R. Molecular Dynamics Simulation of Supercritical Fluids. [Internet] [Doctoral dissertation]. Penn State University; 2005. [cited 2020 Jul 05]. Available from: https://etda.libraries.psu.edu/catalog/6657.

Council of Science Editors:

Branam R. Molecular Dynamics Simulation of Supercritical Fluids. [Doctoral Dissertation]. Penn State University; 2005. Available from: https://etda.libraries.psu.edu/catalog/6657


Penn State University

12. Gullapalli, Ramachandra Rao. Integrated experimental, computational and theoretical methods to study the molecular dynamics of lipid membranes.

Degree: PhD, Bioengineering, 2008, Penn State University

 Cells transduce forces into biochemical signals through a process termed mechanotransduction. This process involves transmembrane proteins, the activity of which is modulated by the lipid… (more)

Subjects/Keywords: fluorescence correlation spectroscopy; lipid membranes; molecular dynamics; lipid diffusion

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APA (6th Edition):

Gullapalli, R. R. (2008). Integrated experimental, computational and theoretical methods to study the molecular dynamics of lipid membranes. (Doctoral Dissertation). Penn State University. Retrieved from https://etda.libraries.psu.edu/catalog/8910

Chicago Manual of Style (16th Edition):

Gullapalli, Ramachandra Rao. “Integrated experimental, computational and theoretical methods to study the molecular dynamics of lipid membranes.” 2008. Doctoral Dissertation, Penn State University. Accessed July 05, 2020. https://etda.libraries.psu.edu/catalog/8910.

MLA Handbook (7th Edition):

Gullapalli, Ramachandra Rao. “Integrated experimental, computational and theoretical methods to study the molecular dynamics of lipid membranes.” 2008. Web. 05 Jul 2020.

Vancouver:

Gullapalli RR. Integrated experimental, computational and theoretical methods to study the molecular dynamics of lipid membranes. [Internet] [Doctoral dissertation]. Penn State University; 2008. [cited 2020 Jul 05]. Available from: https://etda.libraries.psu.edu/catalog/8910.

Council of Science Editors:

Gullapalli RR. Integrated experimental, computational and theoretical methods to study the molecular dynamics of lipid membranes. [Doctoral Dissertation]. Penn State University; 2008. Available from: https://etda.libraries.psu.edu/catalog/8910


Penn State University

13. Ryan, Kathleen Elizabeth. Molecular Dynamics Simulations of Energetic Particle Bombardment of Molecular Solids.

Degree: PhD, Chemistry, 2009, Penn State University

Molecular dynamics (MD) simulations are performed to elucidate the physics surrounding secondary ion mass spectrometry (SIMS). During SIMS, an energetic projectile is bombarded against… (more)

Subjects/Keywords: particle bombardment; simulations; molecular dynamics; secondary ion mass spectrometry; SIMS

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APA (6th Edition):

Ryan, K. E. (2009). Molecular Dynamics Simulations of Energetic Particle Bombardment of Molecular Solids. (Doctoral Dissertation). Penn State University. Retrieved from https://etda.libraries.psu.edu/catalog/9759

Chicago Manual of Style (16th Edition):

Ryan, Kathleen Elizabeth. “Molecular Dynamics Simulations of Energetic Particle Bombardment of Molecular Solids.” 2009. Doctoral Dissertation, Penn State University. Accessed July 05, 2020. https://etda.libraries.psu.edu/catalog/9759.

MLA Handbook (7th Edition):

Ryan, Kathleen Elizabeth. “Molecular Dynamics Simulations of Energetic Particle Bombardment of Molecular Solids.” 2009. Web. 05 Jul 2020.

Vancouver:

Ryan KE. Molecular Dynamics Simulations of Energetic Particle Bombardment of Molecular Solids. [Internet] [Doctoral dissertation]. Penn State University; 2009. [cited 2020 Jul 05]. Available from: https://etda.libraries.psu.edu/catalog/9759.

Council of Science Editors:

Ryan KE. Molecular Dynamics Simulations of Energetic Particle Bombardment of Molecular Solids. [Doctoral Dissertation]. Penn State University; 2009. Available from: https://etda.libraries.psu.edu/catalog/9759


Penn State University

14. Morrow, Christin Palombo. Crossing Scales with Computational Tools: Applications to Divalent Silicate Dissolution.

Degree: PhD, Chemistry, 2010, Penn State University

 Computational tools are used to cross spatial scales during investigations of geochemical reactions and mineral surfaces. Density functional theory (DFT) calculations are employed to investigate… (more)

Subjects/Keywords: density functional theory; molecular dynamics; mineral dissolution; silicate; computational; kinetics; geochemistry

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APA (6th Edition):

Morrow, C. P. (2010). Crossing Scales with Computational Tools: Applications to Divalent Silicate Dissolution. (Doctoral Dissertation). Penn State University. Retrieved from https://etda.libraries.psu.edu/catalog/11039

Chicago Manual of Style (16th Edition):

Morrow, Christin Palombo. “Crossing Scales with Computational Tools: Applications to Divalent Silicate Dissolution.” 2010. Doctoral Dissertation, Penn State University. Accessed July 05, 2020. https://etda.libraries.psu.edu/catalog/11039.

MLA Handbook (7th Edition):

Morrow, Christin Palombo. “Crossing Scales with Computational Tools: Applications to Divalent Silicate Dissolution.” 2010. Web. 05 Jul 2020.

Vancouver:

Morrow CP. Crossing Scales with Computational Tools: Applications to Divalent Silicate Dissolution. [Internet] [Doctoral dissertation]. Penn State University; 2010. [cited 2020 Jul 05]. Available from: https://etda.libraries.psu.edu/catalog/11039.

Council of Science Editors:

Morrow CP. Crossing Scales with Computational Tools: Applications to Divalent Silicate Dissolution. [Doctoral Dissertation]. Penn State University; 2010. Available from: https://etda.libraries.psu.edu/catalog/11039


Penn State University

15. Puri, Puneesh. Multi Scale Modeling of Ignition and Combustion of Micro and Nano Aluminum Particles.

Degree: PhD, Mechanical Engineering, 2008, Penn State University

 With renewed interest in nano scale energetic materials like aluminum, many fundamental issues concerning the ignition and combustion characteristics at nano scales, remain to be… (more)

Subjects/Keywords: Ignition and Combustion; Energetic Materials; Nano Scales; Aluminum; Modeling; Molecular Dynamics

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APA (6th Edition):

Puri, P. (2008). Multi Scale Modeling of Ignition and Combustion of Micro and Nano Aluminum Particles. (Doctoral Dissertation). Penn State University. Retrieved from https://etda.libraries.psu.edu/catalog/8852

Chicago Manual of Style (16th Edition):

Puri, Puneesh. “Multi Scale Modeling of Ignition and Combustion of Micro and Nano Aluminum Particles.” 2008. Doctoral Dissertation, Penn State University. Accessed July 05, 2020. https://etda.libraries.psu.edu/catalog/8852.

MLA Handbook (7th Edition):

Puri, Puneesh. “Multi Scale Modeling of Ignition and Combustion of Micro and Nano Aluminum Particles.” 2008. Web. 05 Jul 2020.

Vancouver:

Puri P. Multi Scale Modeling of Ignition and Combustion of Micro and Nano Aluminum Particles. [Internet] [Doctoral dissertation]. Penn State University; 2008. [cited 2020 Jul 05]. Available from: https://etda.libraries.psu.edu/catalog/8852.

Council of Science Editors:

Puri P. Multi Scale Modeling of Ignition and Combustion of Micro and Nano Aluminum Particles. [Doctoral Dissertation]. Penn State University; 2008. Available from: https://etda.libraries.psu.edu/catalog/8852


Penn State University

16. Singhai, Shashank. APPLICATION OF THE REAXFF MOLECULAR SIMULATION METHOD FOR INVESTIGATING HYPERGOLICITY OF ENERGETIC IONIC LIQUIDS.

Degree: MS, Mechanical Engineering, 2010, Penn State University

 The conventional fossil fuels that are currently used for energy generation in different areas are non-renewable and harmful for the environment. This problem has made… (more)

Subjects/Keywords: ionic liquid; energetic; hypergolic; simulation; Reaxff; molecular dynamics; combustion

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APA (6th Edition):

Singhai, S. (2010). APPLICATION OF THE REAXFF MOLECULAR SIMULATION METHOD FOR INVESTIGATING HYPERGOLICITY OF ENERGETIC IONIC LIQUIDS. (Masters Thesis). Penn State University. Retrieved from https://etda.libraries.psu.edu/catalog/11236

Chicago Manual of Style (16th Edition):

Singhai, Shashank. “APPLICATION OF THE REAXFF MOLECULAR SIMULATION METHOD FOR INVESTIGATING HYPERGOLICITY OF ENERGETIC IONIC LIQUIDS.” 2010. Masters Thesis, Penn State University. Accessed July 05, 2020. https://etda.libraries.psu.edu/catalog/11236.

MLA Handbook (7th Edition):

Singhai, Shashank. “APPLICATION OF THE REAXFF MOLECULAR SIMULATION METHOD FOR INVESTIGATING HYPERGOLICITY OF ENERGETIC IONIC LIQUIDS.” 2010. Web. 05 Jul 2020.

Vancouver:

Singhai S. APPLICATION OF THE REAXFF MOLECULAR SIMULATION METHOD FOR INVESTIGATING HYPERGOLICITY OF ENERGETIC IONIC LIQUIDS. [Internet] [Masters thesis]. Penn State University; 2010. [cited 2020 Jul 05]. Available from: https://etda.libraries.psu.edu/catalog/11236.

Council of Science Editors:

Singhai S. APPLICATION OF THE REAXFF MOLECULAR SIMULATION METHOD FOR INVESTIGATING HYPERGOLICITY OF ENERGETIC IONIC LIQUIDS. [Masters Thesis]. Penn State University; 2010. Available from: https://etda.libraries.psu.edu/catalog/11236


Penn State University

17. Becker, Kelly E. Accelerated Molecular Dynamics Simulation of Thermal Desorption.

Degree: PhD, Chemical Engineering, 2008, Penn State University

 Desorption is a process ubiquitous in phenomena involving surfaces. However, it has rarely been simulated on the molecular level. Molecular dynamics simulation can provide the… (more)

Subjects/Keywords: accelerated molecular dynamics; temperature programmed desorption; simulation; desorption; alkanes

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APA (6th Edition):

Becker, K. E. (2008). Accelerated Molecular Dynamics Simulation of Thermal Desorption. (Doctoral Dissertation). Penn State University. Retrieved from https://etda.libraries.psu.edu/catalog/9112

Chicago Manual of Style (16th Edition):

Becker, Kelly E. “Accelerated Molecular Dynamics Simulation of Thermal Desorption.” 2008. Doctoral Dissertation, Penn State University. Accessed July 05, 2020. https://etda.libraries.psu.edu/catalog/9112.

MLA Handbook (7th Edition):

Becker, Kelly E. “Accelerated Molecular Dynamics Simulation of Thermal Desorption.” 2008. Web. 05 Jul 2020.

Vancouver:

Becker KE. Accelerated Molecular Dynamics Simulation of Thermal Desorption. [Internet] [Doctoral dissertation]. Penn State University; 2008. [cited 2020 Jul 05]. Available from: https://etda.libraries.psu.edu/catalog/9112.

Council of Science Editors:

Becker KE. Accelerated Molecular Dynamics Simulation of Thermal Desorption. [Doctoral Dissertation]. Penn State University; 2008. Available from: https://etda.libraries.psu.edu/catalog/9112


Penn State University

18. SELLAMI, NADIA. WALL MODEL EFFECTS ON TWO PHASE FLOWS AND PRESSURE DISTRIBUTION IN NANOCHANNELS.

Degree: PhD, Aerospace Engineering, 2009, Penn State University

Molecular simulations of single phase bounded nanoflows, especially at high density, showed discrepancies from the classical Navier Stokes solutions: the failure of predicting the slip… (more)

Subjects/Keywords: Molecular Dynamics; Nanoflows; Surface interactions; Virial Pressure; Nanojets

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APA (6th Edition):

SELLAMI, N. (2009). WALL MODEL EFFECTS ON TWO PHASE FLOWS AND PRESSURE DISTRIBUTION IN NANOCHANNELS. (Doctoral Dissertation). Penn State University. Retrieved from https://etda.libraries.psu.edu/catalog/9998

Chicago Manual of Style (16th Edition):

SELLAMI, NADIA. “WALL MODEL EFFECTS ON TWO PHASE FLOWS AND PRESSURE DISTRIBUTION IN NANOCHANNELS.” 2009. Doctoral Dissertation, Penn State University. Accessed July 05, 2020. https://etda.libraries.psu.edu/catalog/9998.

MLA Handbook (7th Edition):

SELLAMI, NADIA. “WALL MODEL EFFECTS ON TWO PHASE FLOWS AND PRESSURE DISTRIBUTION IN NANOCHANNELS.” 2009. Web. 05 Jul 2020.

Vancouver:

SELLAMI N. WALL MODEL EFFECTS ON TWO PHASE FLOWS AND PRESSURE DISTRIBUTION IN NANOCHANNELS. [Internet] [Doctoral dissertation]. Penn State University; 2009. [cited 2020 Jul 05]. Available from: https://etda.libraries.psu.edu/catalog/9998.

Council of Science Editors:

SELLAMI N. WALL MODEL EFFECTS ON TWO PHASE FLOWS AND PRESSURE DISTRIBUTION IN NANOCHANNELS. [Doctoral Dissertation]. Penn State University; 2009. Available from: https://etda.libraries.psu.edu/catalog/9998


Penn State University

19. Kim, DaeYong. INVESTIGATION OF ELECTROSPRAY THRUSTER IN CONE-JET MODE USING MOLECULAR DYNAMICS SIMULATION.

Degree: PhD, Aerospace Engineering, 2011, Penn State University

 In this thesis, a 3-D molecular dynamics (MD) simulation of an electrospray thruster combined with a finite element method (FEM) and a finite difference method… (more)

Subjects/Keywords: molecular dynamics simulation; liquid gallium; electrospray; ionic liquid

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APA (6th Edition):

Kim, D. (2011). INVESTIGATION OF ELECTROSPRAY THRUSTER IN CONE-JET MODE USING MOLECULAR DYNAMICS SIMULATION. (Doctoral Dissertation). Penn State University. Retrieved from https://etda.libraries.psu.edu/catalog/12139

Chicago Manual of Style (16th Edition):

Kim, DaeYong. “INVESTIGATION OF ELECTROSPRAY THRUSTER IN CONE-JET MODE USING MOLECULAR DYNAMICS SIMULATION.” 2011. Doctoral Dissertation, Penn State University. Accessed July 05, 2020. https://etda.libraries.psu.edu/catalog/12139.

MLA Handbook (7th Edition):

Kim, DaeYong. “INVESTIGATION OF ELECTROSPRAY THRUSTER IN CONE-JET MODE USING MOLECULAR DYNAMICS SIMULATION.” 2011. Web. 05 Jul 2020.

Vancouver:

Kim D. INVESTIGATION OF ELECTROSPRAY THRUSTER IN CONE-JET MODE USING MOLECULAR DYNAMICS SIMULATION. [Internet] [Doctoral dissertation]. Penn State University; 2011. [cited 2020 Jul 05]. Available from: https://etda.libraries.psu.edu/catalog/12139.

Council of Science Editors:

Kim D. INVESTIGATION OF ELECTROSPRAY THRUSTER IN CONE-JET MODE USING MOLECULAR DYNAMICS SIMULATION. [Doctoral Dissertation]. Penn State University; 2011. Available from: https://etda.libraries.psu.edu/catalog/12139


Penn State University

20. Kim, DaeYong. MOLECULAR DYNAMICS SIMULATION OF LIQUID GALLIUM ELECTROSPRAY THRUSTERS.

Degree: MS, Aerospace Engineering, 2010, Penn State University

 In this thesis, a 3-D molecular dynamics (MD) simulation of an electrospray thruster was developed. This electrostatic thruster is operated by an electric field generated… (more)

Subjects/Keywords: electrospray; molecular dynamics simulation; liquid gallium; electric field

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APA (6th Edition):

Kim, D. (2010). MOLECULAR DYNAMICS SIMULATION OF LIQUID GALLIUM ELECTROSPRAY THRUSTERS. (Masters Thesis). Penn State University. Retrieved from https://etda.libraries.psu.edu/catalog/11347

Chicago Manual of Style (16th Edition):

Kim, DaeYong. “MOLECULAR DYNAMICS SIMULATION OF LIQUID GALLIUM ELECTROSPRAY THRUSTERS.” 2010. Masters Thesis, Penn State University. Accessed July 05, 2020. https://etda.libraries.psu.edu/catalog/11347.

MLA Handbook (7th Edition):

Kim, DaeYong. “MOLECULAR DYNAMICS SIMULATION OF LIQUID GALLIUM ELECTROSPRAY THRUSTERS.” 2010. Web. 05 Jul 2020.

Vancouver:

Kim D. MOLECULAR DYNAMICS SIMULATION OF LIQUID GALLIUM ELECTROSPRAY THRUSTERS. [Internet] [Masters thesis]. Penn State University; 2010. [cited 2020 Jul 05]. Available from: https://etda.libraries.psu.edu/catalog/11347.

Council of Science Editors:

Kim D. MOLECULAR DYNAMICS SIMULATION OF LIQUID GALLIUM ELECTROSPRAY THRUSTERS. [Masters Thesis]. Penn State University; 2010. Available from: https://etda.libraries.psu.edu/catalog/11347


Penn State University

21. Shahraz, Azar. Wetting Characteristics of Physically-patterned Solid Surfaces.

Degree: PhD, Chemical Engineering, 2013, Penn State University

 This work aims to clarify the effect of surface topology on the kinetic and equilibrium behavior of a droplet deposited on a grooved surface. Specifically… (more)

Subjects/Keywords: wetting; molecular dynamics; surface topology; free-energy barrier; forward flux sampling

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APA (6th Edition):

Shahraz, A. (2013). Wetting Characteristics of Physically-patterned Solid Surfaces. (Doctoral Dissertation). Penn State University. Retrieved from https://etda.libraries.psu.edu/catalog/19585

Chicago Manual of Style (16th Edition):

Shahraz, Azar. “Wetting Characteristics of Physically-patterned Solid Surfaces.” 2013. Doctoral Dissertation, Penn State University. Accessed July 05, 2020. https://etda.libraries.psu.edu/catalog/19585.

MLA Handbook (7th Edition):

Shahraz, Azar. “Wetting Characteristics of Physically-patterned Solid Surfaces.” 2013. Web. 05 Jul 2020.

Vancouver:

Shahraz A. Wetting Characteristics of Physically-patterned Solid Surfaces. [Internet] [Doctoral dissertation]. Penn State University; 2013. [cited 2020 Jul 05]. Available from: https://etda.libraries.psu.edu/catalog/19585.

Council of Science Editors:

Shahraz A. Wetting Characteristics of Physically-patterned Solid Surfaces. [Doctoral Dissertation]. Penn State University; 2013. Available from: https://etda.libraries.psu.edu/catalog/19585


Penn State University

22. Yeon, Jejoon. Development of a ReaxFF reactive force field for silicon/oxygen/hydrogen/fluorine interactions and applications to hydroxylation and friction.

Degree: PhD, Mechanical Engineering, 2015, Penn State University

Molecular dynamics (MD) simulations with the ReaxFF reactive force field were carried out to find the atomistic mechanisms for tribo-chemical reactions occurring at the sliding… (more)

Subjects/Keywords: friction; tribology; tribochemistry; computational chemistry; reactive molecular dynamics; ReaxFF; MD

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APA (6th Edition):

Yeon, J. (2015). Development of a ReaxFF reactive force field for silicon/oxygen/hydrogen/fluorine interactions and applications to hydroxylation and friction. (Doctoral Dissertation). Penn State University. Retrieved from https://etda.libraries.psu.edu/catalog/27634

Chicago Manual of Style (16th Edition):

Yeon, Jejoon. “Development of a ReaxFF reactive force field for silicon/oxygen/hydrogen/fluorine interactions and applications to hydroxylation and friction.” 2015. Doctoral Dissertation, Penn State University. Accessed July 05, 2020. https://etda.libraries.psu.edu/catalog/27634.

MLA Handbook (7th Edition):

Yeon, Jejoon. “Development of a ReaxFF reactive force field for silicon/oxygen/hydrogen/fluorine interactions and applications to hydroxylation and friction.” 2015. Web. 05 Jul 2020.

Vancouver:

Yeon J. Development of a ReaxFF reactive force field for silicon/oxygen/hydrogen/fluorine interactions and applications to hydroxylation and friction. [Internet] [Doctoral dissertation]. Penn State University; 2015. [cited 2020 Jul 05]. Available from: https://etda.libraries.psu.edu/catalog/27634.

Council of Science Editors:

Yeon J. Development of a ReaxFF reactive force field for silicon/oxygen/hydrogen/fluorine interactions and applications to hydroxylation and friction. [Doctoral Dissertation]. Penn State University; 2015. Available from: https://etda.libraries.psu.edu/catalog/27634


Penn State University

23. Kamat, Amar Mahendra. APPLICATION OF REAXFF BASED REACTIVE MOLECULAR DYNAMICS TO SIMULATE LASER INDUCED INCANDESCENCE OF SOOT AND CHAR OXIDATION.

Degree: MS, Mechanical Engineering, 2010, Penn State University

 Laser Induced Incandescence (LII) of soot has developed into a popular method for making in-situ measurements of soot volume fraction and primary particle sizes. However,… (more)

Subjects/Keywords: laser induced incandescence; soot; reaxff; molecular dynamics; accommodation coefficients

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APA (6th Edition):

Kamat, A. M. (2010). APPLICATION OF REAXFF BASED REACTIVE MOLECULAR DYNAMICS TO SIMULATE LASER INDUCED INCANDESCENCE OF SOOT AND CHAR OXIDATION. (Masters Thesis). Penn State University. Retrieved from https://etda.libraries.psu.edu/catalog/11698

Chicago Manual of Style (16th Edition):

Kamat, Amar Mahendra. “APPLICATION OF REAXFF BASED REACTIVE MOLECULAR DYNAMICS TO SIMULATE LASER INDUCED INCANDESCENCE OF SOOT AND CHAR OXIDATION.” 2010. Masters Thesis, Penn State University. Accessed July 05, 2020. https://etda.libraries.psu.edu/catalog/11698.

MLA Handbook (7th Edition):

Kamat, Amar Mahendra. “APPLICATION OF REAXFF BASED REACTIVE MOLECULAR DYNAMICS TO SIMULATE LASER INDUCED INCANDESCENCE OF SOOT AND CHAR OXIDATION.” 2010. Web. 05 Jul 2020.

Vancouver:

Kamat AM. APPLICATION OF REAXFF BASED REACTIVE MOLECULAR DYNAMICS TO SIMULATE LASER INDUCED INCANDESCENCE OF SOOT AND CHAR OXIDATION. [Internet] [Masters thesis]. Penn State University; 2010. [cited 2020 Jul 05]. Available from: https://etda.libraries.psu.edu/catalog/11698.

Council of Science Editors:

Kamat AM. APPLICATION OF REAXFF BASED REACTIVE MOLECULAR DYNAMICS TO SIMULATE LASER INDUCED INCANDESCENCE OF SOOT AND CHAR OXIDATION. [Masters Thesis]. Penn State University; 2010. Available from: https://etda.libraries.psu.edu/catalog/11698

24. Kumarasiri, Malika Dhananjaya. Anharmonic Effects of Small Clusters of Molecules and Ranking Activity of Protein Mutants.

Degree: PhD, Chemistry, 2008, Penn State University

 This thesis is presented in two parts. In part 1, anharmonic effects of small molecules are investigated using theoretical methods. In part 2, mutants of… (more)

Subjects/Keywords: Molecular Dynamics; Mutant Studies

…Thus, we perform molecular dynamics (MD) simulations within the framework of the… …ion pairs.13 Guillot and Guissani performed one-phase and two-phase molecular dynamics… …force fields used in molecular dynamics simulations cannot directly be used to study a… …the harmonic approximation is used to describe many molecular properties. However, the… …large molecular systems such as biomolecules. In part 1 of this thesis, we specifically… 

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APA (6th Edition):

Kumarasiri, M. D. (2008). Anharmonic Effects of Small Clusters of Molecules and Ranking Activity of Protein Mutants. (Doctoral Dissertation). Penn State University. Retrieved from https://etda.libraries.psu.edu/catalog/9276

Chicago Manual of Style (16th Edition):

Kumarasiri, Malika Dhananjaya. “Anharmonic Effects of Small Clusters of Molecules and Ranking Activity of Protein Mutants.” 2008. Doctoral Dissertation, Penn State University. Accessed July 05, 2020. https://etda.libraries.psu.edu/catalog/9276.

MLA Handbook (7th Edition):

Kumarasiri, Malika Dhananjaya. “Anharmonic Effects of Small Clusters of Molecules and Ranking Activity of Protein Mutants.” 2008. Web. 05 Jul 2020.

Vancouver:

Kumarasiri MD. Anharmonic Effects of Small Clusters of Molecules and Ranking Activity of Protein Mutants. [Internet] [Doctoral dissertation]. Penn State University; 2008. [cited 2020 Jul 05]. Available from: https://etda.libraries.psu.edu/catalog/9276.

Council of Science Editors:

Kumarasiri MD. Anharmonic Effects of Small Clusters of Molecules and Ranking Activity of Protein Mutants. [Doctoral Dissertation]. Penn State University; 2008. Available from: https://etda.libraries.psu.edu/catalog/9276


Penn State University

25. Rumble, Christopher. Solute Dynamics in Liquid Systems: Experiments and Molecular Dynamics Simulations.

Degree: 2017, Penn State University

 This work reports on explorations into the effect of the liquid environment on the dynamics and kinetics of a range solute processes. The first study… (more)

Subjects/Keywords: electron transfer; proton transfer; ionic liquids; ultrafast spectroscopy; rotational dynamics; solvation dynamics; T1 relaxation; G-quadruplexes; charge transfer; molecular rotors; fluorescence; molecular dynamics simulation

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APA (6th Edition):

Rumble, C. (2017). Solute Dynamics in Liquid Systems: Experiments and Molecular Dynamics Simulations. (Thesis). Penn State University. Retrieved from https://etda.libraries.psu.edu/catalog/14181car335

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):

Rumble, Christopher. “Solute Dynamics in Liquid Systems: Experiments and Molecular Dynamics Simulations.” 2017. Thesis, Penn State University. Accessed July 05, 2020. https://etda.libraries.psu.edu/catalog/14181car335.

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

MLA Handbook (7th Edition):

Rumble, Christopher. “Solute Dynamics in Liquid Systems: Experiments and Molecular Dynamics Simulations.” 2017. Web. 05 Jul 2020.

Vancouver:

Rumble C. Solute Dynamics in Liquid Systems: Experiments and Molecular Dynamics Simulations. [Internet] [Thesis]. Penn State University; 2017. [cited 2020 Jul 05]. Available from: https://etda.libraries.psu.edu/catalog/14181car335.

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

Council of Science Editors:

Rumble C. Solute Dynamics in Liquid Systems: Experiments and Molecular Dynamics Simulations. [Thesis]. Penn State University; 2017. Available from: https://etda.libraries.psu.edu/catalog/14181car335

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


Penn State University

26. Huang, Changjin. A Mechanistic Study on Cellular Uptake of Nanoparticles for Enhanced Drug Delivery.

Degree: PhD, Engineering Science and Mechanics, 2014, Penn State University

 Inspired by the high specificity and efficiency of the invasion of viruses into mammalian cells, extensive effort has been devoted to develop biomimetic nanoparticle (NP)-based… (more)

Subjects/Keywords: Nanoparticle; cellular uptake; substrate stiffness; topography; thermodynamics; molecular dynamics; drug delivery; cancer

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APA (6th Edition):

Huang, C. (2014). A Mechanistic Study on Cellular Uptake of Nanoparticles for Enhanced Drug Delivery. (Doctoral Dissertation). Penn State University. Retrieved from https://etda.libraries.psu.edu/catalog/21485

Chicago Manual of Style (16th Edition):

Huang, Changjin. “A Mechanistic Study on Cellular Uptake of Nanoparticles for Enhanced Drug Delivery.” 2014. Doctoral Dissertation, Penn State University. Accessed July 05, 2020. https://etda.libraries.psu.edu/catalog/21485.

MLA Handbook (7th Edition):

Huang, Changjin. “A Mechanistic Study on Cellular Uptake of Nanoparticles for Enhanced Drug Delivery.” 2014. Web. 05 Jul 2020.

Vancouver:

Huang C. A Mechanistic Study on Cellular Uptake of Nanoparticles for Enhanced Drug Delivery. [Internet] [Doctoral dissertation]. Penn State University; 2014. [cited 2020 Jul 05]. Available from: https://etda.libraries.psu.edu/catalog/21485.

Council of Science Editors:

Huang C. A Mechanistic Study on Cellular Uptake of Nanoparticles for Enhanced Drug Delivery. [Doctoral Dissertation]. Penn State University; 2014. Available from: https://etda.libraries.psu.edu/catalog/21485


Penn State University

27. Masser, Hanqing. Understanding Ion Association States and Molecular Dynamics Using Infrared Spectroscopy.

Degree: PhD, Materials Science and Engineering, 2013, Penn State University

 A molecular level understanding of the ion transport mechanism within polymer electrolytes is crucial to the further development for advanced energy storage applications. This can… (more)

Subjects/Keywords: infrared spectroscopy; ionomer; ion association states; dielectric; ion conduction; lithium ion; molecular dynamics

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APA (6th Edition):

Masser, H. (2013). Understanding Ion Association States and Molecular Dynamics Using Infrared Spectroscopy. (Doctoral Dissertation). Penn State University. Retrieved from https://etda.libraries.psu.edu/catalog/19351

Chicago Manual of Style (16th Edition):

Masser, Hanqing. “Understanding Ion Association States and Molecular Dynamics Using Infrared Spectroscopy.” 2013. Doctoral Dissertation, Penn State University. Accessed July 05, 2020. https://etda.libraries.psu.edu/catalog/19351.

MLA Handbook (7th Edition):

Masser, Hanqing. “Understanding Ion Association States and Molecular Dynamics Using Infrared Spectroscopy.” 2013. Web. 05 Jul 2020.

Vancouver:

Masser H. Understanding Ion Association States and Molecular Dynamics Using Infrared Spectroscopy. [Internet] [Doctoral dissertation]. Penn State University; 2013. [cited 2020 Jul 05]. Available from: https://etda.libraries.psu.edu/catalog/19351.

Council of Science Editors:

Masser H. Understanding Ion Association States and Molecular Dynamics Using Infrared Spectroscopy. [Doctoral Dissertation]. Penn State University; 2013. Available from: https://etda.libraries.psu.edu/catalog/19351


Penn State University

28. Hanoian, Philip. Computer Simulations Of Enzymes.

Degree: PhD, Chemistry, 2014, Penn State University

 Enzymes are proteins that perform the essential function of facilitating chemical reactions within living organisms, and the rate enhancements provided by enzymes are so significant… (more)

Subjects/Keywords: molecular dynamics simulations; enzymes; computational; ketosteroid isomerase; dihydrfolate reductase; empirical valence bond

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APA (6th Edition):

Hanoian, P. (2014). Computer Simulations Of Enzymes. (Doctoral Dissertation). Penn State University. Retrieved from https://etda.libraries.psu.edu/catalog/22078

Chicago Manual of Style (16th Edition):

Hanoian, Philip. “Computer Simulations Of Enzymes.” 2014. Doctoral Dissertation, Penn State University. Accessed July 05, 2020. https://etda.libraries.psu.edu/catalog/22078.

MLA Handbook (7th Edition):

Hanoian, Philip. “Computer Simulations Of Enzymes.” 2014. Web. 05 Jul 2020.

Vancouver:

Hanoian P. Computer Simulations Of Enzymes. [Internet] [Doctoral dissertation]. Penn State University; 2014. [cited 2020 Jul 05]. Available from: https://etda.libraries.psu.edu/catalog/22078.

Council of Science Editors:

Hanoian P. Computer Simulations Of Enzymes. [Doctoral Dissertation]. Penn State University; 2014. Available from: https://etda.libraries.psu.edu/catalog/22078


Penn State University

29. Castellanos Mantilla, Maria Monica. Aggregation in concentrated protein solutions: insights from rheology, neutron scattering and molecular simulations.

Degree: PhD, Materials Science and Engineering, 2014, Penn State University

 Aggregation of therapeutic proteins is currently one of the major challenges in the bio-pharmaceutical industry, because aggregates could induce immunogenic responses and compromise the quality… (more)

Subjects/Keywords: protein aggregation; protein rheology; neutron scattering; monoclonal antibody; molecular dynamics; viscosity; yield stress

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APA (6th Edition):

Castellanos Mantilla, M. M. (2014). Aggregation in concentrated protein solutions: insights from rheology, neutron scattering and molecular simulations. (Doctoral Dissertation). Penn State University. Retrieved from https://etda.libraries.psu.edu/catalog/23635

Chicago Manual of Style (16th Edition):

Castellanos Mantilla, Maria Monica. “Aggregation in concentrated protein solutions: insights from rheology, neutron scattering and molecular simulations.” 2014. Doctoral Dissertation, Penn State University. Accessed July 05, 2020. https://etda.libraries.psu.edu/catalog/23635.

MLA Handbook (7th Edition):

Castellanos Mantilla, Maria Monica. “Aggregation in concentrated protein solutions: insights from rheology, neutron scattering and molecular simulations.” 2014. Web. 05 Jul 2020.

Vancouver:

Castellanos Mantilla MM. Aggregation in concentrated protein solutions: insights from rheology, neutron scattering and molecular simulations. [Internet] [Doctoral dissertation]. Penn State University; 2014. [cited 2020 Jul 05]. Available from: https://etda.libraries.psu.edu/catalog/23635.

Council of Science Editors:

Castellanos Mantilla MM. Aggregation in concentrated protein solutions: insights from rheology, neutron scattering and molecular simulations. [Doctoral Dissertation]. Penn State University; 2014. Available from: https://etda.libraries.psu.edu/catalog/23635


Penn State University

30. Kennedy, Paul Earl. Molecular Dynamics Investigations of Energetic Cluster Bombardment of Metal-organic Interfaces and Organic Solids.

Degree: PhD, Chemistry, 2013, Penn State University

 The objectives of this dissertation are two-fold and are related by the underlying theme of utilizing molecular dynamics simulations to investigate the different types of… (more)

Subjects/Keywords: molecular dynamics simulations; MD; cluster bombardment; C60; secondary ion mass spectrometry; SIMS

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APA (6th Edition):

Kennedy, P. E. (2013). Molecular Dynamics Investigations of Energetic Cluster Bombardment of Metal-organic Interfaces and Organic Solids. (Doctoral Dissertation). Penn State University. Retrieved from https://etda.libraries.psu.edu/catalog/17517

Chicago Manual of Style (16th Edition):

Kennedy, Paul Earl. “Molecular Dynamics Investigations of Energetic Cluster Bombardment of Metal-organic Interfaces and Organic Solids.” 2013. Doctoral Dissertation, Penn State University. Accessed July 05, 2020. https://etda.libraries.psu.edu/catalog/17517.

MLA Handbook (7th Edition):

Kennedy, Paul Earl. “Molecular Dynamics Investigations of Energetic Cluster Bombardment of Metal-organic Interfaces and Organic Solids.” 2013. Web. 05 Jul 2020.

Vancouver:

Kennedy PE. Molecular Dynamics Investigations of Energetic Cluster Bombardment of Metal-organic Interfaces and Organic Solids. [Internet] [Doctoral dissertation]. Penn State University; 2013. [cited 2020 Jul 05]. Available from: https://etda.libraries.psu.edu/catalog/17517.

Council of Science Editors:

Kennedy PE. Molecular Dynamics Investigations of Energetic Cluster Bombardment of Metal-organic Interfaces and Organic Solids. [Doctoral Dissertation]. Penn State University; 2013. Available from: https://etda.libraries.psu.edu/catalog/17517

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