Advanced search options

Advanced Search Options 🞨

Browse by author name (“Author name starts with…”).

Find ETDs with:

in
/  
in
/  
in
/  
in

Written in Published in Earliest date Latest date

Sorted by

Results per page:

Sorted by: relevance · author · university · dateNew search

University: Georgia Tech

You searched for subject:(Molecular Dynamics). Showing records 1 – 30 of 80 total matches.

[1] [2] [3]

Search Limiters

Last 2 Years | English Only

▼ Search Limiters


Georgia Tech

1. Warren, Davis Morgan. Molecular dynamics simulation of barite and celestite ion-pairs.

Degree: MS, Earth and Atmospheric Sciences, 2011, Georgia Tech

 The presence of ion-pairs in electrolyte solutions affects the activity of dissolved species as well as the solubility of minerals. The extent of ion-pairing in… (more)

Subjects/Keywords: Molecular dynamics; PMF; Ion pairs; Geochemistry; Barite; Celestite; Molecular dynamics

Record DetailsSimilar RecordsGoogle PlusoneFacebookTwitterCiteULikeMendeleyreddit

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

APA (6th Edition):

Warren, D. M. (2011). Molecular dynamics simulation of barite and celestite ion-pairs. (Masters Thesis). Georgia Tech. Retrieved from http://hdl.handle.net/1853/41177

Chicago Manual of Style (16th Edition):

Warren, Davis Morgan. “Molecular dynamics simulation of barite and celestite ion-pairs.” 2011. Masters Thesis, Georgia Tech. Accessed July 09, 2020. http://hdl.handle.net/1853/41177.

MLA Handbook (7th Edition):

Warren, Davis Morgan. “Molecular dynamics simulation of barite and celestite ion-pairs.” 2011. Web. 09 Jul 2020.

Vancouver:

Warren DM. Molecular dynamics simulation of barite and celestite ion-pairs. [Internet] [Masters thesis]. Georgia Tech; 2011. [cited 2020 Jul 09]. Available from: http://hdl.handle.net/1853/41177.

Council of Science Editors:

Warren DM. Molecular dynamics simulation of barite and celestite ion-pairs. [Masters Thesis]. Georgia Tech; 2011. Available from: http://hdl.handle.net/1853/41177


Georgia Tech

2. Ouyang, Jian. Molecular dynamics studies of interfacial properties of complex liquid systems.

Degree: PhD, Physics, 1995, Georgia Tech

Subjects/Keywords: Molecular dynamics; Liquids

Record DetailsSimilar RecordsGoogle PlusoneFacebookTwitterCiteULikeMendeleyreddit

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

APA (6th Edition):

Ouyang, J. (1995). Molecular dynamics studies of interfacial properties of complex liquid systems. (Doctoral Dissertation). Georgia Tech. Retrieved from http://hdl.handle.net/1853/30494

Chicago Manual of Style (16th Edition):

Ouyang, Jian. “Molecular dynamics studies of interfacial properties of complex liquid systems.” 1995. Doctoral Dissertation, Georgia Tech. Accessed July 09, 2020. http://hdl.handle.net/1853/30494.

MLA Handbook (7th Edition):

Ouyang, Jian. “Molecular dynamics studies of interfacial properties of complex liquid systems.” 1995. Web. 09 Jul 2020.

Vancouver:

Ouyang J. Molecular dynamics studies of interfacial properties of complex liquid systems. [Internet] [Doctoral dissertation]. Georgia Tech; 1995. [cited 2020 Jul 09]. Available from: http://hdl.handle.net/1853/30494.

Council of Science Editors:

Ouyang J. Molecular dynamics studies of interfacial properties of complex liquid systems. [Doctoral Dissertation]. Georgia Tech; 1995. Available from: http://hdl.handle.net/1853/30494


Georgia Tech

3. Stewart, Joseph Daniel. A study of free molecular and nearly-free molecular internal flow problems.

Degree: PhD, Aeronautical Engineering, 1967, Georgia Tech

Subjects/Keywords: Molecular dynamics; Gas dynamics

Record DetailsSimilar RecordsGoogle PlusoneFacebookTwitterCiteULikeMendeleyreddit

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

APA (6th Edition):

Stewart, J. D. (1967). A study of free molecular and nearly-free molecular internal flow problems. (Doctoral Dissertation). Georgia Tech. Retrieved from http://hdl.handle.net/1853/11852

Chicago Manual of Style (16th Edition):

Stewart, Joseph Daniel. “A study of free molecular and nearly-free molecular internal flow problems.” 1967. Doctoral Dissertation, Georgia Tech. Accessed July 09, 2020. http://hdl.handle.net/1853/11852.

MLA Handbook (7th Edition):

Stewart, Joseph Daniel. “A study of free molecular and nearly-free molecular internal flow problems.” 1967. Web. 09 Jul 2020.

Vancouver:

Stewart JD. A study of free molecular and nearly-free molecular internal flow problems. [Internet] [Doctoral dissertation]. Georgia Tech; 1967. [cited 2020 Jul 09]. Available from: http://hdl.handle.net/1853/11852.

Council of Science Editors:

Stewart JD. A study of free molecular and nearly-free molecular internal flow problems. [Doctoral Dissertation]. Georgia Tech; 1967. Available from: http://hdl.handle.net/1853/11852


Georgia Tech

4. Callaway, Connor Patrick. Multiscale Modeling of Multicompartment Micelles: Influence of Triblock and Tetrablock Polymer Architecture on Morphological Variation.

Degree: PhD, Materials Science and Engineering, 2020, Georgia Tech

 Multicompartment micelles offer great potential for catalytic science, owing to their ability to sequester immobilized catalytic species into distinct chambers within the micelle. In multi-step… (more)

Subjects/Keywords: computational chemistry; catalysis science; simulation; molecular simulation; molecular dynamics; dissipative particle dynamics; DPD; micelle; micelle nanoreactor; multicompartment micelle; micelle morphology

Record DetailsSimilar RecordsGoogle PlusoneFacebookTwitterCiteULikeMendeleyreddit

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

APA (6th Edition):

Callaway, C. P. (2020). Multiscale Modeling of Multicompartment Micelles: Influence of Triblock and Tetrablock Polymer Architecture on Morphological Variation. (Doctoral Dissertation). Georgia Tech. Retrieved from http://hdl.handle.net/1853/62734

Chicago Manual of Style (16th Edition):

Callaway, Connor Patrick. “Multiscale Modeling of Multicompartment Micelles: Influence of Triblock and Tetrablock Polymer Architecture on Morphological Variation.” 2020. Doctoral Dissertation, Georgia Tech. Accessed July 09, 2020. http://hdl.handle.net/1853/62734.

MLA Handbook (7th Edition):

Callaway, Connor Patrick. “Multiscale Modeling of Multicompartment Micelles: Influence of Triblock and Tetrablock Polymer Architecture on Morphological Variation.” 2020. Web. 09 Jul 2020.

Vancouver:

Callaway CP. Multiscale Modeling of Multicompartment Micelles: Influence of Triblock and Tetrablock Polymer Architecture on Morphological Variation. [Internet] [Doctoral dissertation]. Georgia Tech; 2020. [cited 2020 Jul 09]. Available from: http://hdl.handle.net/1853/62734.

Council of Science Editors:

Callaway CP. Multiscale Modeling of Multicompartment Micelles: Influence of Triblock and Tetrablock Polymer Architecture on Morphological Variation. [Doctoral Dissertation]. Georgia Tech; 2020. Available from: http://hdl.handle.net/1853/62734


Georgia Tech

5. Lee, Seung Geol. Structure-property relationship of hydrogel: molecular dynamics simulation approach.

Degree: PhD, Materials Science and Engineering, 2011, Georgia Tech

 We have used a molecular modeling of both random and blocky sequence hydrogel networks of poly(N-vinyl-2-pyrrolidone-co-2-hydroxyethyl methacrylate) (P(VP-co-HEMA)) with a composition of VP:HEMA = 37:13… (more)

Subjects/Keywords: NIPAAm; Mechanical properties; Transport properties; VP-co-HEMA; Hydrogels; Molecular dynamics simulation; Colloids; Nanogels; Molecular dynamics

Record DetailsSimilar RecordsGoogle PlusoneFacebookTwitterCiteULikeMendeleyreddit

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

APA (6th Edition):

Lee, S. G. (2011). Structure-property relationship of hydrogel: molecular dynamics simulation approach. (Doctoral Dissertation). Georgia Tech. Retrieved from http://hdl.handle.net/1853/44844

Chicago Manual of Style (16th Edition):

Lee, Seung Geol. “Structure-property relationship of hydrogel: molecular dynamics simulation approach.” 2011. Doctoral Dissertation, Georgia Tech. Accessed July 09, 2020. http://hdl.handle.net/1853/44844.

MLA Handbook (7th Edition):

Lee, Seung Geol. “Structure-property relationship of hydrogel: molecular dynamics simulation approach.” 2011. Web. 09 Jul 2020.

Vancouver:

Lee SG. Structure-property relationship of hydrogel: molecular dynamics simulation approach. [Internet] [Doctoral dissertation]. Georgia Tech; 2011. [cited 2020 Jul 09]. Available from: http://hdl.handle.net/1853/44844.

Council of Science Editors:

Lee SG. Structure-property relationship of hydrogel: molecular dynamics simulation approach. [Doctoral Dissertation]. Georgia Tech; 2011. Available from: http://hdl.handle.net/1853/44844


Georgia Tech

6. Hazel, Anthony. Understanding Protein Folding and Assembly at the Outer Membrane of Pathogenic Gram-negative Bacteria.

Degree: PhD, Physics, 2019, Georgia Tech

 Antimicrobial resistance in pathogenic Gram-negative bacteria is quickly becoming a global pandemic, responsible for approximately two million illnesses and almost 23,000 deaths annually in the… (more)

Subjects/Keywords: protein folding; protein assembly; molecular dynamics; antibiotic resistance

Record DetailsSimilar RecordsGoogle PlusoneFacebookTwitterCiteULikeMendeleyreddit

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

APA (6th Edition):

Hazel, A. (2019). Understanding Protein Folding and Assembly at the Outer Membrane of Pathogenic Gram-negative Bacteria. (Doctoral Dissertation). Georgia Tech. Retrieved from http://hdl.handle.net/1853/62633

Chicago Manual of Style (16th Edition):

Hazel, Anthony. “Understanding Protein Folding and Assembly at the Outer Membrane of Pathogenic Gram-negative Bacteria.” 2019. Doctoral Dissertation, Georgia Tech. Accessed July 09, 2020. http://hdl.handle.net/1853/62633.

MLA Handbook (7th Edition):

Hazel, Anthony. “Understanding Protein Folding and Assembly at the Outer Membrane of Pathogenic Gram-negative Bacteria.” 2019. Web. 09 Jul 2020.

Vancouver:

Hazel A. Understanding Protein Folding and Assembly at the Outer Membrane of Pathogenic Gram-negative Bacteria. [Internet] [Doctoral dissertation]. Georgia Tech; 2019. [cited 2020 Jul 09]. Available from: http://hdl.handle.net/1853/62633.

Council of Science Editors:

Hazel A. Understanding Protein Folding and Assembly at the Outer Membrane of Pathogenic Gram-negative Bacteria. [Doctoral Dissertation]. Georgia Tech; 2019. Available from: http://hdl.handle.net/1853/62633


Georgia Tech

7. Lundquist, Karl Philip. Molecular Transport into the Outer Membrane of Gram-negative bacteria.

Degree: PhD, Physics, 2019, Georgia Tech

 This thesis details novel insights gleaned from the application of molecular dynamics (MD) simulations to two protein systems, the β-barrel assembly machinery (BAM), and the… (more)

Subjects/Keywords: Molecular dynamics beta-barrel assembly protein structure outer membrane

Record DetailsSimilar RecordsGoogle PlusoneFacebookTwitterCiteULikeMendeleyreddit

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

APA (6th Edition):

Lundquist, K. P. (2019). Molecular Transport into the Outer Membrane of Gram-negative bacteria. (Doctoral Dissertation). Georgia Tech. Retrieved from http://hdl.handle.net/1853/62643

Chicago Manual of Style (16th Edition):

Lundquist, Karl Philip. “Molecular Transport into the Outer Membrane of Gram-negative bacteria.” 2019. Doctoral Dissertation, Georgia Tech. Accessed July 09, 2020. http://hdl.handle.net/1853/62643.

MLA Handbook (7th Edition):

Lundquist, Karl Philip. “Molecular Transport into the Outer Membrane of Gram-negative bacteria.” 2019. Web. 09 Jul 2020.

Vancouver:

Lundquist KP. Molecular Transport into the Outer Membrane of Gram-negative bacteria. [Internet] [Doctoral dissertation]. Georgia Tech; 2019. [cited 2020 Jul 09]. Available from: http://hdl.handle.net/1853/62643.

Council of Science Editors:

Lundquist KP. Molecular Transport into the Outer Membrane of Gram-negative bacteria. [Doctoral Dissertation]. Georgia Tech; 2019. Available from: http://hdl.handle.net/1853/62643


Georgia Tech

8. Lohse, Alexander Mark. Structure-property relationships from molecular simulation of polymeric matrix composites.

Degree: PhD, Materials Science and Engineering, 2018, Georgia Tech

 The use of composite materials has risen significantly over the past several decades as many industries begin to take advantage of the high specific strength,… (more)

Subjects/Keywords: Molecular dynamics; Polymeric matrix composites; Covalent adaptable networks; ReaxFF; Carbon fiber

Record DetailsSimilar RecordsGoogle PlusoneFacebookTwitterCiteULikeMendeleyreddit

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

APA (6th Edition):

Lohse, A. M. (2018). Structure-property relationships from molecular simulation of polymeric matrix composites. (Doctoral Dissertation). Georgia Tech. Retrieved from http://hdl.handle.net/1853/61664

Chicago Manual of Style (16th Edition):

Lohse, Alexander Mark. “Structure-property relationships from molecular simulation of polymeric matrix composites.” 2018. Doctoral Dissertation, Georgia Tech. Accessed July 09, 2020. http://hdl.handle.net/1853/61664.

MLA Handbook (7th Edition):

Lohse, Alexander Mark. “Structure-property relationships from molecular simulation of polymeric matrix composites.” 2018. Web. 09 Jul 2020.

Vancouver:

Lohse AM. Structure-property relationships from molecular simulation of polymeric matrix composites. [Internet] [Doctoral dissertation]. Georgia Tech; 2018. [cited 2020 Jul 09]. Available from: http://hdl.handle.net/1853/61664.

Council of Science Editors:

Lohse AM. Structure-property relationships from molecular simulation of polymeric matrix composites. [Doctoral Dissertation]. Georgia Tech; 2018. Available from: http://hdl.handle.net/1853/61664


Georgia Tech

9. Fountain, Tina Lynn. Reaction dynamics of high temperature systems : I. O ̄⁺ H₂ products II. O ̄⁺ H₂ products.

Degree: PhD, Physics, 1992, Georgia Tech

Subjects/Keywords: Molecular spectroscopy; Dynamics; Mechanics, Analytic

Record DetailsSimilar RecordsGoogle PlusoneFacebookTwitterCiteULikeMendeleyreddit

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

APA (6th Edition):

Fountain, T. L. (1992). Reaction dynamics of high temperature systems : I. O ̄⁺ H₂ products II. O ̄⁺ H₂ products. (Doctoral Dissertation). Georgia Tech. Retrieved from http://hdl.handle.net/1853/29190

Chicago Manual of Style (16th Edition):

Fountain, Tina Lynn. “Reaction dynamics of high temperature systems : I. O ̄⁺ H₂ products II. O ̄⁺ H₂ products.” 1992. Doctoral Dissertation, Georgia Tech. Accessed July 09, 2020. http://hdl.handle.net/1853/29190.

MLA Handbook (7th Edition):

Fountain, Tina Lynn. “Reaction dynamics of high temperature systems : I. O ̄⁺ H₂ products II. O ̄⁺ H₂ products.” 1992. Web. 09 Jul 2020.

Vancouver:

Fountain TL. Reaction dynamics of high temperature systems : I. O ̄⁺ H₂ products II. O ̄⁺ H₂ products. [Internet] [Doctoral dissertation]. Georgia Tech; 1992. [cited 2020 Jul 09]. Available from: http://hdl.handle.net/1853/29190.

Council of Science Editors:

Fountain TL. Reaction dynamics of high temperature systems : I. O ̄⁺ H₂ products II. O ̄⁺ H₂ products. [Doctoral Dissertation]. Georgia Tech; 1992. Available from: http://hdl.handle.net/1853/29190


Georgia Tech

10. Bartko, Andrew P. Deciphering spatially heterogeneous polymer dynamics using single molecule microscopy.

Degree: PhD, Chemistry, 2002, Georgia Tech

Subjects/Keywords: Polymers Analysis; Molecular dynamics

Record DetailsSimilar RecordsGoogle PlusoneFacebookTwitterCiteULikeMendeleyreddit

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

APA (6th Edition):

Bartko, A. P. (2002). Deciphering spatially heterogeneous polymer dynamics using single molecule microscopy. (Doctoral Dissertation). Georgia Tech. Retrieved from http://hdl.handle.net/1853/30566

Chicago Manual of Style (16th Edition):

Bartko, Andrew P. “Deciphering spatially heterogeneous polymer dynamics using single molecule microscopy.” 2002. Doctoral Dissertation, Georgia Tech. Accessed July 09, 2020. http://hdl.handle.net/1853/30566.

MLA Handbook (7th Edition):

Bartko, Andrew P. “Deciphering spatially heterogeneous polymer dynamics using single molecule microscopy.” 2002. Web. 09 Jul 2020.

Vancouver:

Bartko AP. Deciphering spatially heterogeneous polymer dynamics using single molecule microscopy. [Internet] [Doctoral dissertation]. Georgia Tech; 2002. [cited 2020 Jul 09]. Available from: http://hdl.handle.net/1853/30566.

Council of Science Editors:

Bartko AP. Deciphering spatially heterogeneous polymer dynamics using single molecule microscopy. [Doctoral Dissertation]. Georgia Tech; 2002. Available from: http://hdl.handle.net/1853/30566


Georgia Tech

11. Chen, Liang. Thermal transport at carbon nanotube and graphene interfaces using atomistic models.

Degree: PhD, Mechanical Engineering, 2015, Georgia Tech

 Phonons are primary heat carriers in carbon nanotubes (CNTs) and graphene; a fundamental understanding of phonon transport in these nano-structures is required for the energy… (more)

Subjects/Keywords: Carbon nanotube; Graphene; Molecular dynamics; Atomistic Green's function; Phonon; Thermal transport

Record DetailsSimilar RecordsGoogle PlusoneFacebookTwitterCiteULikeMendeleyreddit

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

APA (6th Edition):

Chen, L. (2015). Thermal transport at carbon nanotube and graphene interfaces using atomistic models. (Doctoral Dissertation). Georgia Tech. Retrieved from http://hdl.handle.net/1853/54889

Chicago Manual of Style (16th Edition):

Chen, Liang. “Thermal transport at carbon nanotube and graphene interfaces using atomistic models.” 2015. Doctoral Dissertation, Georgia Tech. Accessed July 09, 2020. http://hdl.handle.net/1853/54889.

MLA Handbook (7th Edition):

Chen, Liang. “Thermal transport at carbon nanotube and graphene interfaces using atomistic models.” 2015. Web. 09 Jul 2020.

Vancouver:

Chen L. Thermal transport at carbon nanotube and graphene interfaces using atomistic models. [Internet] [Doctoral dissertation]. Georgia Tech; 2015. [cited 2020 Jul 09]. Available from: http://hdl.handle.net/1853/54889.

Council of Science Editors:

Chen L. Thermal transport at carbon nanotube and graphene interfaces using atomistic models. [Doctoral Dissertation]. Georgia Tech; 2015. Available from: http://hdl.handle.net/1853/54889


Georgia Tech

12. Dong, Xin. Dependence of mechanical properties of partially oriented polymeric systems on chemical structure and molecular architecture.

Degree: PhD, Materials Science and Engineering, 2015, Georgia Tech

 Partially oriented polymeric structures such as semi-crystalline polymers and liquid crystalline polymers/elastomer cover a wide range of synthetic and natural polymeric materials. Owing to the… (more)

Subjects/Keywords: Semi-crystalline polymer; Liquid crystalline elastomer; Molecular dynamics; Azobenzene; Photoresponsive; Actuator

Record DetailsSimilar RecordsGoogle PlusoneFacebookTwitterCiteULikeMendeleyreddit

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

APA (6th Edition):

Dong, X. (2015). Dependence of mechanical properties of partially oriented polymeric systems on chemical structure and molecular architecture. (Doctoral Dissertation). Georgia Tech. Retrieved from http://hdl.handle.net/1853/55506

Chicago Manual of Style (16th Edition):

Dong, Xin. “Dependence of mechanical properties of partially oriented polymeric systems on chemical structure and molecular architecture.” 2015. Doctoral Dissertation, Georgia Tech. Accessed July 09, 2020. http://hdl.handle.net/1853/55506.

MLA Handbook (7th Edition):

Dong, Xin. “Dependence of mechanical properties of partially oriented polymeric systems on chemical structure and molecular architecture.” 2015. Web. 09 Jul 2020.

Vancouver:

Dong X. Dependence of mechanical properties of partially oriented polymeric systems on chemical structure and molecular architecture. [Internet] [Doctoral dissertation]. Georgia Tech; 2015. [cited 2020 Jul 09]. Available from: http://hdl.handle.net/1853/55506.

Council of Science Editors:

Dong X. Dependence of mechanical properties of partially oriented polymeric systems on chemical structure and molecular architecture. [Doctoral Dissertation]. Georgia Tech; 2015. Available from: http://hdl.handle.net/1853/55506


Georgia Tech

13. Abu-Hakmeh, Khaldoon E. Computational study of polymer membranes for proton and anion exchange membranes fuel cells.

Degree: PhD, Chemical and Biomolecular Engineering, 2016, Georgia Tech

 Polymer electrolyte membranes with novel molecular architectures were simulated to study their structure-property relationships. Two types of polymer electrolyte membranes were considered: proton and anion… (more)

Subjects/Keywords: Molecular dynamics; Fuel cells; Proton exchange membranes; Anion exchange membranes

Record DetailsSimilar RecordsGoogle PlusoneFacebookTwitterCiteULikeMendeleyreddit

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

APA (6th Edition):

Abu-Hakmeh, K. E. (2016). Computational study of polymer membranes for proton and anion exchange membranes fuel cells. (Doctoral Dissertation). Georgia Tech. Retrieved from http://hdl.handle.net/1853/56298

Chicago Manual of Style (16th Edition):

Abu-Hakmeh, Khaldoon E. “Computational study of polymer membranes for proton and anion exchange membranes fuel cells.” 2016. Doctoral Dissertation, Georgia Tech. Accessed July 09, 2020. http://hdl.handle.net/1853/56298.

MLA Handbook (7th Edition):

Abu-Hakmeh, Khaldoon E. “Computational study of polymer membranes for proton and anion exchange membranes fuel cells.” 2016. Web. 09 Jul 2020.

Vancouver:

Abu-Hakmeh KE. Computational study of polymer membranes for proton and anion exchange membranes fuel cells. [Internet] [Doctoral dissertation]. Georgia Tech; 2016. [cited 2020 Jul 09]. Available from: http://hdl.handle.net/1853/56298.

Council of Science Editors:

Abu-Hakmeh KE. Computational study of polymer membranes for proton and anion exchange membranes fuel cells. [Doctoral Dissertation]. Georgia Tech; 2016. Available from: http://hdl.handle.net/1853/56298

14. Craven, Galen Thomas. Minimalist theory for mesoscale reaction dynamics.

Degree: PhD, Chemistry and Biochemistry, 2014, Georgia Tech

 The prediction of an atomistic system's macroscopic observables from microscopic physical characteristics is often intractable, either by theory or computation, due to the intrinsic complexity… (more)

Subjects/Keywords: Statistical mechanics; Reaction dynamics; Molecular dynamics

…tested by comparison between the results measured from molecular dynamics (MD) in Sec… …constituent components of molecular machines [18, 88, 6, 130, 128]. Stimuli such as… …systems of particles whose dynamics are governed by soft bounded potentials. The purple… …Figure 2: A molecular structure (red) undergoing a configurational change in a… …molecular structure assembly [42, 80, 156, 117, 163, 130]. Because soft interactions… 

Record DetailsSimilar RecordsGoogle PlusoneFacebookTwitterCiteULikeMendeleyreddit

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

APA (6th Edition):

Craven, G. T. (2014). Minimalist theory for mesoscale reaction dynamics. (Doctoral Dissertation). Georgia Tech. Retrieved from http://hdl.handle.net/1853/54292

Chicago Manual of Style (16th Edition):

Craven, Galen Thomas. “Minimalist theory for mesoscale reaction dynamics.” 2014. Doctoral Dissertation, Georgia Tech. Accessed July 09, 2020. http://hdl.handle.net/1853/54292.

MLA Handbook (7th Edition):

Craven, Galen Thomas. “Minimalist theory for mesoscale reaction dynamics.” 2014. Web. 09 Jul 2020.

Vancouver:

Craven GT. Minimalist theory for mesoscale reaction dynamics. [Internet] [Doctoral dissertation]. Georgia Tech; 2014. [cited 2020 Jul 09]. Available from: http://hdl.handle.net/1853/54292.

Council of Science Editors:

Craven GT. Minimalist theory for mesoscale reaction dynamics. [Doctoral Dissertation]. Georgia Tech; 2014. Available from: http://hdl.handle.net/1853/54292


Georgia Tech

15. Swann, Andrew Thomas. Characterization of polymer-supported homogeneous catalysts by molecular modeling.

Degree: PhD, Chemical Engineering, 2008, Georgia Tech

 Simulations were used to assist in both the optimization and experimental support of polymer-supported immobilized homogeneous catalysts. This work is a starting point for using… (more)

Subjects/Keywords: Molecular modeling; Molecular dynamics; Catalysts; Polymers; Molecules Models

Record DetailsSimilar RecordsGoogle PlusoneFacebookTwitterCiteULikeMendeleyreddit

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

APA (6th Edition):

Swann, A. T. (2008). Characterization of polymer-supported homogeneous catalysts by molecular modeling. (Doctoral Dissertation). Georgia Tech. Retrieved from http://hdl.handle.net/1853/26702

Chicago Manual of Style (16th Edition):

Swann, Andrew Thomas. “Characterization of polymer-supported homogeneous catalysts by molecular modeling.” 2008. Doctoral Dissertation, Georgia Tech. Accessed July 09, 2020. http://hdl.handle.net/1853/26702.

MLA Handbook (7th Edition):

Swann, Andrew Thomas. “Characterization of polymer-supported homogeneous catalysts by molecular modeling.” 2008. Web. 09 Jul 2020.

Vancouver:

Swann AT. Characterization of polymer-supported homogeneous catalysts by molecular modeling. [Internet] [Doctoral dissertation]. Georgia Tech; 2008. [cited 2020 Jul 09]. Available from: http://hdl.handle.net/1853/26702.

Council of Science Editors:

Swann AT. Characterization of polymer-supported homogeneous catalysts by molecular modeling. [Doctoral Dissertation]. Georgia Tech; 2008. Available from: http://hdl.handle.net/1853/26702

16. Li, Yao. Atomistic modeling of environmental aging of epoxy resins.

Degree: PhD, Materials Science and Engineering, 2012, Georgia Tech

 In this work, epoxy resins were modeled using all atom representations in nanoscale simulation boxes. Tetrafunctional epoxy and corresponding multifunctional amine were chosen as model… (more)

Subjects/Keywords: Molecular dynamics; Simulation; Epoxy; Epoxy resins; Aging; Molecular dynamics

…the metal surface, (a) before and (b) after Molecular Dynamics. [54… …bisphenol A fs femtosecond MD Molecular dynamics nm nanometer PA primary amine ps… …equilibrated using molecular dynamics and a suitable potential function, known as force field… …considered. The most popular methods include molecular mechanics (MM), molecular dynamics… …1.2.3 Molecular dynamics Molecular Dynamics (MD) is a simulation methodology based… 

Record DetailsSimilar RecordsGoogle PlusoneFacebookTwitterCiteULikeMendeleyreddit

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

APA (6th Edition):

Li, Y. (2012). Atomistic modeling of environmental aging of epoxy resins. (Doctoral Dissertation). Georgia Tech. Retrieved from http://hdl.handle.net/1853/43633

Chicago Manual of Style (16th Edition):

Li, Yao. “Atomistic modeling of environmental aging of epoxy resins.” 2012. Doctoral Dissertation, Georgia Tech. Accessed July 09, 2020. http://hdl.handle.net/1853/43633.

MLA Handbook (7th Edition):

Li, Yao. “Atomistic modeling of environmental aging of epoxy resins.” 2012. Web. 09 Jul 2020.

Vancouver:

Li Y. Atomistic modeling of environmental aging of epoxy resins. [Internet] [Doctoral dissertation]. Georgia Tech; 2012. [cited 2020 Jul 09]. Available from: http://hdl.handle.net/1853/43633.

Council of Science Editors:

Li Y. Atomistic modeling of environmental aging of epoxy resins. [Doctoral Dissertation]. Georgia Tech; 2012. Available from: http://hdl.handle.net/1853/43633


Georgia Tech

17. Rogers, Daniel J. Molecular dynamics simulation of the carbon nanotube - substrate thermal interface resistance.

Degree: MS, Mechanical Engineering, 2009, Georgia Tech

 Thermal management is a key challenge to improving the performance of microelectronic devices. For many high performance applications, the thermal resistance between chip and heat… (more)

Subjects/Keywords: Thermal transport; Nanotube; Molecular dynamics; Molecular dynamics; Nanotubes; Microelectronics; Heat Transmission

Record DetailsSimilar RecordsGoogle PlusoneFacebookTwitterCiteULikeMendeleyreddit

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

APA (6th Edition):

Rogers, D. J. (2009). Molecular dynamics simulation of the carbon nanotube - substrate thermal interface resistance. (Masters Thesis). Georgia Tech. Retrieved from http://hdl.handle.net/1853/31765

Chicago Manual of Style (16th Edition):

Rogers, Daniel J. “Molecular dynamics simulation of the carbon nanotube - substrate thermal interface resistance.” 2009. Masters Thesis, Georgia Tech. Accessed July 09, 2020. http://hdl.handle.net/1853/31765.

MLA Handbook (7th Edition):

Rogers, Daniel J. “Molecular dynamics simulation of the carbon nanotube - substrate thermal interface resistance.” 2009. Web. 09 Jul 2020.

Vancouver:

Rogers DJ. Molecular dynamics simulation of the carbon nanotube - substrate thermal interface resistance. [Internet] [Masters thesis]. Georgia Tech; 2009. [cited 2020 Jul 09]. Available from: http://hdl.handle.net/1853/31765.

Council of Science Editors:

Rogers DJ. Molecular dynamics simulation of the carbon nanotube - substrate thermal interface resistance. [Masters Thesis]. Georgia Tech; 2009. Available from: http://hdl.handle.net/1853/31765


Georgia Tech

18. Ashokan, Ajith. Geometric, Electronic and Optical Properties of Organic Charge Transfer Systems: Photovoltaic Blends and Donor-Acceptor Co-crystals.

Degree: PhD, Chemistry and Biochemistry, 2020, Georgia Tech

 Over the past two decades, π-conjugated organic molecules have found applications in the active layer of different types of organic electronic devices. To optimize and… (more)

Subjects/Keywords: Morphology; Molecular dynamics simulations; Polymer; Non-fullerene Acceptor; DFT Calculations; Bandstructure; Co-crystals

Record DetailsSimilar RecordsGoogle PlusoneFacebookTwitterCiteULikeMendeleyreddit

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

APA (6th Edition):

Ashokan, A. (2020). Geometric, Electronic and Optical Properties of Organic Charge Transfer Systems: Photovoltaic Blends and Donor-Acceptor Co-crystals. (Doctoral Dissertation). Georgia Tech. Retrieved from http://hdl.handle.net/1853/62748

Chicago Manual of Style (16th Edition):

Ashokan, Ajith. “Geometric, Electronic and Optical Properties of Organic Charge Transfer Systems: Photovoltaic Blends and Donor-Acceptor Co-crystals.” 2020. Doctoral Dissertation, Georgia Tech. Accessed July 09, 2020. http://hdl.handle.net/1853/62748.

MLA Handbook (7th Edition):

Ashokan, Ajith. “Geometric, Electronic and Optical Properties of Organic Charge Transfer Systems: Photovoltaic Blends and Donor-Acceptor Co-crystals.” 2020. Web. 09 Jul 2020.

Vancouver:

Ashokan A. Geometric, Electronic and Optical Properties of Organic Charge Transfer Systems: Photovoltaic Blends and Donor-Acceptor Co-crystals. [Internet] [Doctoral dissertation]. Georgia Tech; 2020. [cited 2020 Jul 09]. Available from: http://hdl.handle.net/1853/62748.

Council of Science Editors:

Ashokan A. Geometric, Electronic and Optical Properties of Organic Charge Transfer Systems: Photovoltaic Blends and Donor-Acceptor Co-crystals. [Doctoral Dissertation]. Georgia Tech; 2020. Available from: http://hdl.handle.net/1853/62748


Georgia Tech

19. Merchan Alvarez, Lina Paola. Alkane fluids confined and compressed by two smooth gold crystalline surfaces: pure liquids and mixtures.

Degree: PhD, Physics, 2012, Georgia Tech

 With the use of grand canonical molecular dynamics, we studied the slow ompression(0.01m/s) of very thin liquid films made of equimolar mixtures of short and… (more)

Subjects/Keywords: Mixtures; Alkanes; Compression; Confined; Molecular dynamics; Thin film; Alkanes; Liquid films; Materials Compression testing

Record DetailsSimilar RecordsGoogle PlusoneFacebookTwitterCiteULikeMendeleyreddit

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

APA (6th Edition):

Merchan Alvarez, L. P. (2012). Alkane fluids confined and compressed by two smooth gold crystalline surfaces: pure liquids and mixtures. (Doctoral Dissertation). Georgia Tech. Retrieved from http://hdl.handle.net/1853/47551

Chicago Manual of Style (16th Edition):

Merchan Alvarez, Lina Paola. “Alkane fluids confined and compressed by two smooth gold crystalline surfaces: pure liquids and mixtures.” 2012. Doctoral Dissertation, Georgia Tech. Accessed July 09, 2020. http://hdl.handle.net/1853/47551.

MLA Handbook (7th Edition):

Merchan Alvarez, Lina Paola. “Alkane fluids confined and compressed by two smooth gold crystalline surfaces: pure liquids and mixtures.” 2012. Web. 09 Jul 2020.

Vancouver:

Merchan Alvarez LP. Alkane fluids confined and compressed by two smooth gold crystalline surfaces: pure liquids and mixtures. [Internet] [Doctoral dissertation]. Georgia Tech; 2012. [cited 2020 Jul 09]. Available from: http://hdl.handle.net/1853/47551.

Council of Science Editors:

Merchan Alvarez LP. Alkane fluids confined and compressed by two smooth gold crystalline surfaces: pure liquids and mixtures. [Doctoral Dissertation]. Georgia Tech; 2012. Available from: http://hdl.handle.net/1853/47551


Georgia Tech

20. Muraleedharan, Murali Gopal gopal. NANOSCALE HEAT TRANSFER EFFECTS IN THE COMBUSTION OF NANOENERGETIC MATERIALS.

Degree: PhD, Aerospace Engineering, 2018, Georgia Tech

 Metal-based composite energetic materials have substantially higher volumetric energy density when compared with monomolecular compounds such as trinitrotoluene (TNT). Micron-sized metal particles have been routinely… (more)

Subjects/Keywords: Nanoenergetic materials; nanoscale heat transfer; atomistic simulations; molecular dynamics; density functional theory

Record DetailsSimilar RecordsGoogle PlusoneFacebookTwitterCiteULikeMendeleyreddit

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

APA (6th Edition):

Muraleedharan, M. G. g. (2018). NANOSCALE HEAT TRANSFER EFFECTS IN THE COMBUSTION OF NANOENERGETIC MATERIALS. (Doctoral Dissertation). Georgia Tech. Retrieved from http://hdl.handle.net/1853/62223

Chicago Manual of Style (16th Edition):

Muraleedharan, Murali Gopal gopal. “NANOSCALE HEAT TRANSFER EFFECTS IN THE COMBUSTION OF NANOENERGETIC MATERIALS.” 2018. Doctoral Dissertation, Georgia Tech. Accessed July 09, 2020. http://hdl.handle.net/1853/62223.

MLA Handbook (7th Edition):

Muraleedharan, Murali Gopal gopal. “NANOSCALE HEAT TRANSFER EFFECTS IN THE COMBUSTION OF NANOENERGETIC MATERIALS.” 2018. Web. 09 Jul 2020.

Vancouver:

Muraleedharan MGg. NANOSCALE HEAT TRANSFER EFFECTS IN THE COMBUSTION OF NANOENERGETIC MATERIALS. [Internet] [Doctoral dissertation]. Georgia Tech; 2018. [cited 2020 Jul 09]. Available from: http://hdl.handle.net/1853/62223.

Council of Science Editors:

Muraleedharan MGg. NANOSCALE HEAT TRANSFER EFFECTS IN THE COMBUSTION OF NANOENERGETIC MATERIALS. [Doctoral Dissertation]. Georgia Tech; 2018. Available from: http://hdl.handle.net/1853/62223


Georgia Tech

21. Stoy, Robert Lee. Rarefied gas flow between two parallel plates for three molecular models.

Degree: PhD, Aeronautical Engineering, 1966, Georgia Tech

Subjects/Keywords: Molecular dynamics; Kinetic theory of gases

Record DetailsSimilar RecordsGoogle PlusoneFacebookTwitterCiteULikeMendeleyreddit

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

APA (6th Edition):

Stoy, R. L. (1966). Rarefied gas flow between two parallel plates for three molecular models. (Doctoral Dissertation). Georgia Tech. Retrieved from http://hdl.handle.net/1853/12009

Chicago Manual of Style (16th Edition):

Stoy, Robert Lee. “Rarefied gas flow between two parallel plates for three molecular models.” 1966. Doctoral Dissertation, Georgia Tech. Accessed July 09, 2020. http://hdl.handle.net/1853/12009.

MLA Handbook (7th Edition):

Stoy, Robert Lee. “Rarefied gas flow between two parallel plates for three molecular models.” 1966. Web. 09 Jul 2020.

Vancouver:

Stoy RL. Rarefied gas flow between two parallel plates for three molecular models. [Internet] [Doctoral dissertation]. Georgia Tech; 1966. [cited 2020 Jul 09]. Available from: http://hdl.handle.net/1853/12009.

Council of Science Editors:

Stoy RL. Rarefied gas flow between two parallel plates for three molecular models. [Doctoral Dissertation]. Georgia Tech; 1966. Available from: http://hdl.handle.net/1853/12009


Georgia Tech

22. Spearot, Douglas Edward. Atomistic Calculations of Nanoscale Interface Behavior in FCC Metals.

Degree: PhD, Mechanical Engineering, 2005, Georgia Tech

 This dissertation focuses on the behavior of homogeneous FCC metallic interfaces on the nanoscale. Specifically, atomistic calculations (molecular statics and molecular dynamics) with embedded-atom method… (more)

Subjects/Keywords: Copper; Interface; Molecular dynamics; Aluminum; Dislocations

Record DetailsSimilar RecordsGoogle PlusoneFacebookTwitterCiteULikeMendeleyreddit

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

APA (6th Edition):

Spearot, D. E. (2005). Atomistic Calculations of Nanoscale Interface Behavior in FCC Metals. (Doctoral Dissertation). Georgia Tech. Retrieved from http://hdl.handle.net/1853/7230

Chicago Manual of Style (16th Edition):

Spearot, Douglas Edward. “Atomistic Calculations of Nanoscale Interface Behavior in FCC Metals.” 2005. Doctoral Dissertation, Georgia Tech. Accessed July 09, 2020. http://hdl.handle.net/1853/7230.

MLA Handbook (7th Edition):

Spearot, Douglas Edward. “Atomistic Calculations of Nanoscale Interface Behavior in FCC Metals.” 2005. Web. 09 Jul 2020.

Vancouver:

Spearot DE. Atomistic Calculations of Nanoscale Interface Behavior in FCC Metals. [Internet] [Doctoral dissertation]. Georgia Tech; 2005. [cited 2020 Jul 09]. Available from: http://hdl.handle.net/1853/7230.

Council of Science Editors:

Spearot DE. Atomistic Calculations of Nanoscale Interface Behavior in FCC Metals. [Doctoral Dissertation]. Georgia Tech; 2005. Available from: http://hdl.handle.net/1853/7230


Georgia Tech

23. Yoo, Hanjong. Multi-scale modeling of poly(3-hexylthiophene) and [6,6]-phenyl-c61-butyric acid methyl ester using coarse grained force field derived from DFT based atomistic force field.

Degree: MS, Materials Science and Engineering, 2015, Georgia Tech

 The power conversion efficiencies for the organic photovoltaic cells containing active layers of electron donors and acceptors are dependent of three morphological properties, namely the… (more)

Subjects/Keywords: Organic photovoltaics; Polymer; Organic materials; Molecular dynamics simulation; Force field; Coarse-grained model

Record DetailsSimilar RecordsGoogle PlusoneFacebookTwitterCiteULikeMendeleyreddit

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

APA (6th Edition):

Yoo, H. (2015). Multi-scale modeling of poly(3-hexylthiophene) and [6,6]-phenyl-c61-butyric acid methyl ester using coarse grained force field derived from DFT based atomistic force field. (Masters Thesis). Georgia Tech. Retrieved from http://hdl.handle.net/1853/56226

Chicago Manual of Style (16th Edition):

Yoo, Hanjong. “Multi-scale modeling of poly(3-hexylthiophene) and [6,6]-phenyl-c61-butyric acid methyl ester using coarse grained force field derived from DFT based atomistic force field.” 2015. Masters Thesis, Georgia Tech. Accessed July 09, 2020. http://hdl.handle.net/1853/56226.

MLA Handbook (7th Edition):

Yoo, Hanjong. “Multi-scale modeling of poly(3-hexylthiophene) and [6,6]-phenyl-c61-butyric acid methyl ester using coarse grained force field derived from DFT based atomistic force field.” 2015. Web. 09 Jul 2020.

Vancouver:

Yoo H. Multi-scale modeling of poly(3-hexylthiophene) and [6,6]-phenyl-c61-butyric acid methyl ester using coarse grained force field derived from DFT based atomistic force field. [Internet] [Masters thesis]. Georgia Tech; 2015. [cited 2020 Jul 09]. Available from: http://hdl.handle.net/1853/56226.

Council of Science Editors:

Yoo H. Multi-scale modeling of poly(3-hexylthiophene) and [6,6]-phenyl-c61-butyric acid methyl ester using coarse grained force field derived from DFT based atomistic force field. [Masters Thesis]. Georgia Tech; 2015. Available from: http://hdl.handle.net/1853/56226


Georgia Tech

24. Xu, Kewei. Single Molecule Studies of Diffusion Dynamics in Polymer Thin Films Near Tg.

Degree: MS, Chemistry and Biochemistry, 2007, Georgia Tech

 For polymers near the glass transition, the dynamics in some regions can be orders of magnitude different compared with the dynamics in other regions only… (more)

Subjects/Keywords: Single molecule orientation; Polymer dynamics; Thin films; Molecular dynamics; Polymers Analysis

Record DetailsSimilar RecordsGoogle PlusoneFacebookTwitterCiteULikeMendeleyreddit

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

APA (6th Edition):

Xu, K. (2007). Single Molecule Studies of Diffusion Dynamics in Polymer Thin Films Near Tg. (Masters Thesis). Georgia Tech. Retrieved from http://hdl.handle.net/1853/16233

Chicago Manual of Style (16th Edition):

Xu, Kewei. “Single Molecule Studies of Diffusion Dynamics in Polymer Thin Films Near Tg.” 2007. Masters Thesis, Georgia Tech. Accessed July 09, 2020. http://hdl.handle.net/1853/16233.

MLA Handbook (7th Edition):

Xu, Kewei. “Single Molecule Studies of Diffusion Dynamics in Polymer Thin Films Near Tg.” 2007. Web. 09 Jul 2020.

Vancouver:

Xu K. Single Molecule Studies of Diffusion Dynamics in Polymer Thin Films Near Tg. [Internet] [Masters thesis]. Georgia Tech; 2007. [cited 2020 Jul 09]. Available from: http://hdl.handle.net/1853/16233.

Council of Science Editors:

Xu K. Single Molecule Studies of Diffusion Dynamics in Polymer Thin Films Near Tg. [Masters Thesis]. Georgia Tech; 2007. Available from: http://hdl.handle.net/1853/16233


Georgia Tech

25. Kokan, Timothy Salim. Characterizing High-Energy-Density Propellants for Space Propulsion Applications.

Degree: PhD, Aerospace Engineering, 2007, Georgia Tech

 There exists wide ranging research interest in high-energy-density matter (HEDM) propellants as a potential replacement for existing industry standard fuels for liquid rocket engines. The… (more)

Subjects/Keywords: Propulsion; High-energy density matter; Rocket propellants; Molecular dynamics

Record DetailsSimilar RecordsGoogle PlusoneFacebookTwitterCiteULikeMendeleyreddit

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

APA (6th Edition):

Kokan, T. S. (2007). Characterizing High-Energy-Density Propellants for Space Propulsion Applications. (Doctoral Dissertation). Georgia Tech. Retrieved from http://hdl.handle.net/1853/14626

Chicago Manual of Style (16th Edition):

Kokan, Timothy Salim. “Characterizing High-Energy-Density Propellants for Space Propulsion Applications.” 2007. Doctoral Dissertation, Georgia Tech. Accessed July 09, 2020. http://hdl.handle.net/1853/14626.

MLA Handbook (7th Edition):

Kokan, Timothy Salim. “Characterizing High-Energy-Density Propellants for Space Propulsion Applications.” 2007. Web. 09 Jul 2020.

Vancouver:

Kokan TS. Characterizing High-Energy-Density Propellants for Space Propulsion Applications. [Internet] [Doctoral dissertation]. Georgia Tech; 2007. [cited 2020 Jul 09]. Available from: http://hdl.handle.net/1853/14626.

Council of Science Editors:

Kokan TS. Characterizing High-Energy-Density Propellants for Space Propulsion Applications. [Doctoral Dissertation]. Georgia Tech; 2007. Available from: http://hdl.handle.net/1853/14626


Georgia Tech

26. Gomberg, Joshua A. Data-driven PSP linkages for atomistic datasets.

Degree: PhD, Materials Science and Engineering, 2017, Georgia Tech

 For a variety of materials, atomic-scale modeling techniques are commonly employed as a means of investigating fundamental properties, including both structural and chemical responses. While… (more)

Subjects/Keywords: Grain boundaries; Materials informatics; Molecular dynamics; Pair correlation function; Principal component analysis; Process-structure-property linkage; Interatomic potentials; Multiscale modeling

Record DetailsSimilar RecordsGoogle PlusoneFacebookTwitterCiteULikeMendeleyreddit

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

APA (6th Edition):

Gomberg, J. A. (2017). Data-driven PSP linkages for atomistic datasets. (Doctoral Dissertation). Georgia Tech. Retrieved from http://hdl.handle.net/1853/60125

Chicago Manual of Style (16th Edition):

Gomberg, Joshua A. “Data-driven PSP linkages for atomistic datasets.” 2017. Doctoral Dissertation, Georgia Tech. Accessed July 09, 2020. http://hdl.handle.net/1853/60125.

MLA Handbook (7th Edition):

Gomberg, Joshua A. “Data-driven PSP linkages for atomistic datasets.” 2017. Web. 09 Jul 2020.

Vancouver:

Gomberg JA. Data-driven PSP linkages for atomistic datasets. [Internet] [Doctoral dissertation]. Georgia Tech; 2017. [cited 2020 Jul 09]. Available from: http://hdl.handle.net/1853/60125.

Council of Science Editors:

Gomberg JA. Data-driven PSP linkages for atomistic datasets. [Doctoral Dissertation]. Georgia Tech; 2017. Available from: http://hdl.handle.net/1853/60125


Georgia Tech

27. Gossett, John Jared. Analysis of macromolecular structure through experiment and computation.

Degree: PhD, Computer Science, 2013, Georgia Tech

 This thesis covers a wide variety of projects within the domain of computational structural biology. Structural biology is concerned with the molecular structure of proteins… (more)

Subjects/Keywords: Computational biology; Structural biology; Molecular nanowire; Ribosomal RNA; Satellite tobacco mosaic virus; SHAPE chemistry; Macromolecular modeling; Data analysis; Macromolecules Analysis; Computational biology; Biomolecules Structure; Molecular dynamics; Computer simulation

Record DetailsSimilar RecordsGoogle PlusoneFacebookTwitterCiteULikeMendeleyreddit

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

APA (6th Edition):

Gossett, J. J. (2013). Analysis of macromolecular structure through experiment and computation. (Doctoral Dissertation). Georgia Tech. Retrieved from http://hdl.handle.net/1853/51925

Chicago Manual of Style (16th Edition):

Gossett, John Jared. “Analysis of macromolecular structure through experiment and computation.” 2013. Doctoral Dissertation, Georgia Tech. Accessed July 09, 2020. http://hdl.handle.net/1853/51925.

MLA Handbook (7th Edition):

Gossett, John Jared. “Analysis of macromolecular structure through experiment and computation.” 2013. Web. 09 Jul 2020.

Vancouver:

Gossett JJ. Analysis of macromolecular structure through experiment and computation. [Internet] [Doctoral dissertation]. Georgia Tech; 2013. [cited 2020 Jul 09]. Available from: http://hdl.handle.net/1853/51925.

Council of Science Editors:

Gossett JJ. Analysis of macromolecular structure through experiment and computation. [Doctoral Dissertation]. Georgia Tech; 2013. Available from: http://hdl.handle.net/1853/51925


Georgia Tech

28. Camp, Jeffrey S. Materials and methods for atomistic characterization of emergent nanoporous adsorbents.

Degree: PhD, Chemical and Biomolecular Engineering, 2016, Georgia Tech

 Metal organic frameworks (MOFs) are an emerging class of nanoporous materials that have shown promise in applications including gas storage, separations, and catalysis. The complexity… (more)

Subjects/Keywords: Chemical engineering; Materials science; Nanoporous materials; Atomistic simulation; Metal organic frameworks; Molecular dynamics; Grand canonical monte carlo; Density functional theory; Porous organic cages; Porous molecular crystals; Cage crystals

Record DetailsSimilar RecordsGoogle PlusoneFacebookTwitterCiteULikeMendeleyreddit

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

APA (6th Edition):

Camp, J. S. (2016). Materials and methods for atomistic characterization of emergent nanoporous adsorbents. (Doctoral Dissertation). Georgia Tech. Retrieved from http://hdl.handle.net/1853/55625

Chicago Manual of Style (16th Edition):

Camp, Jeffrey S. “Materials and methods for atomistic characterization of emergent nanoporous adsorbents.” 2016. Doctoral Dissertation, Georgia Tech. Accessed July 09, 2020. http://hdl.handle.net/1853/55625.

MLA Handbook (7th Edition):

Camp, Jeffrey S. “Materials and methods for atomistic characterization of emergent nanoporous adsorbents.” 2016. Web. 09 Jul 2020.

Vancouver:

Camp JS. Materials and methods for atomistic characterization of emergent nanoporous adsorbents. [Internet] [Doctoral dissertation]. Georgia Tech; 2016. [cited 2020 Jul 09]. Available from: http://hdl.handle.net/1853/55625.

Council of Science Editors:

Camp JS. Materials and methods for atomistic characterization of emergent nanoporous adsorbents. [Doctoral Dissertation]. Georgia Tech; 2016. Available from: http://hdl.handle.net/1853/55625


Georgia Tech

29. Kang, Wei. Molecular dynamics simulations and microscopic hydrodynamics of nanoscale liquid structures.

Degree: PhD, Physics, 2008, Georgia Tech

 In this thesis, issues pertaining to the dynamics of nanoscale liquid systems, such as nanojets and nanobridges, in vacuum as well as in ambient gaseous… (more)

Subjects/Keywords: Liquid structure; Nanoscale; Microscopic hydrodynamics; Molecular dynamics simulation; Molecular dynamics; Hydrodynamics; Computer simulation; Nanoscience

Record DetailsSimilar RecordsGoogle PlusoneFacebookTwitterCiteULikeMendeleyreddit

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

APA (6th Edition):

Kang, W. (2008). Molecular dynamics simulations and microscopic hydrodynamics of nanoscale liquid structures. (Doctoral Dissertation). Georgia Tech. Retrieved from http://hdl.handle.net/1853/22597

Chicago Manual of Style (16th Edition):

Kang, Wei. “Molecular dynamics simulations and microscopic hydrodynamics of nanoscale liquid structures.” 2008. Doctoral Dissertation, Georgia Tech. Accessed July 09, 2020. http://hdl.handle.net/1853/22597.

MLA Handbook (7th Edition):

Kang, Wei. “Molecular dynamics simulations and microscopic hydrodynamics of nanoscale liquid structures.” 2008. Web. 09 Jul 2020.

Vancouver:

Kang W. Molecular dynamics simulations and microscopic hydrodynamics of nanoscale liquid structures. [Internet] [Doctoral dissertation]. Georgia Tech; 2008. [cited 2020 Jul 09]. Available from: http://hdl.handle.net/1853/22597.

Council of Science Editors:

Kang W. Molecular dynamics simulations and microscopic hydrodynamics of nanoscale liquid structures. [Doctoral Dissertation]. Georgia Tech; 2008. Available from: http://hdl.handle.net/1853/22597


Georgia Tech

30. Tomar, Vikas. Atomistic modeling of the AL and Fe₂O₃ material system using classical molecular dynamics.

Degree: PhD, Mechanical Engineering, 2005, Georgia Tech

 In the current research, a framework based on classical molecular dynamics (MD) is developed for computational mechanical analyses of complex nanoscale materials. The material system… (more)

Subjects/Keywords: Shock wave propagation analyses; Nanocrystalline structures; Molecular dynamics; Nanostructured materials; Shock waves; Molecular dynamics; Nanocrystals

Record DetailsSimilar RecordsGoogle PlusoneFacebookTwitterCiteULikeMendeleyreddit

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

APA (6th Edition):

Tomar, V. (2005). Atomistic modeling of the AL and Fe₂O₃ material system using classical molecular dynamics. (Doctoral Dissertation). Georgia Tech. Retrieved from http://hdl.handle.net/1853/7502

Chicago Manual of Style (16th Edition):

Tomar, Vikas. “Atomistic modeling of the AL and Fe₂O₃ material system using classical molecular dynamics.” 2005. Doctoral Dissertation, Georgia Tech. Accessed July 09, 2020. http://hdl.handle.net/1853/7502.

MLA Handbook (7th Edition):

Tomar, Vikas. “Atomistic modeling of the AL and Fe₂O₃ material system using classical molecular dynamics.” 2005. Web. 09 Jul 2020.

Vancouver:

Tomar V. Atomistic modeling of the AL and Fe₂O₃ material system using classical molecular dynamics. [Internet] [Doctoral dissertation]. Georgia Tech; 2005. [cited 2020 Jul 09]. Available from: http://hdl.handle.net/1853/7502.

Council of Science Editors:

Tomar V. Atomistic modeling of the AL and Fe₂O₃ material system using classical molecular dynamics. [Doctoral Dissertation]. Georgia Tech; 2005. Available from: http://hdl.handle.net/1853/7502

[1] [2] [3]

.