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You searched for subject:(Molecular dynamics simulation). Showing records 1 – 30 of 534 total matches.

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University of Alberta

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

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

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

Subjects/Keywords: Molecular dynamics simulation

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APA (6th Edition):

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

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

Chicago Manual of Style (16th Edition):

Zhou,Yang. “Molecular Dynamics Study of A Water Soluble, Upper Critical Solution Temperature Polymer.” 2014. Masters Thesis, University of Alberta. Accessed September 17, 2019. https://era.library.ualberta.ca/files/rb68xf375.

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

MLA Handbook (7th Edition):

Zhou,Yang. “Molecular Dynamics Study of A Water Soluble, Upper Critical Solution Temperature Polymer.” 2014. Web. 17 Sep 2019.

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

Vancouver:

Zhou,Yang. Molecular Dynamics Study of A Water Soluble, Upper Critical Solution Temperature Polymer. [Internet] [Masters thesis]. University of Alberta; 2014. [cited 2019 Sep 17]. Available from: https://era.library.ualberta.ca/files/rb68xf375.

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

Council of Science Editors:

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

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


Hong Kong University of Science and Technology

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

Degree: 2011, Hong Kong University of Science and Technology

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

Subjects/Keywords: Phospholipids; Molecular dynamics  – Computer simulation

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APA (6th Edition):

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

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

Chicago Manual of Style (16th Edition):

Sun, Sheng. “Molecular dynamics simulations of phospholipids in water under external electric field.” 2011. Thesis, Hong Kong University of Science and Technology. Accessed September 17, 2019. https://doi.org/10.14711/thesis-b1155752 ; http://repository.ust.hk/ir/bitstream/1783.1-7300/1/th_redirect.html.

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

MLA Handbook (7th Edition):

Sun, Sheng. “Molecular dynamics simulations of phospholipids in water under external electric field.” 2011. Web. 17 Sep 2019.

Vancouver:

Sun S. Molecular dynamics simulations of phospholipids in water under external electric field. [Internet] [Thesis]. Hong Kong University of Science and Technology; 2011. [cited 2019 Sep 17]. Available from: https://doi.org/10.14711/thesis-b1155752 ; http://repository.ust.hk/ir/bitstream/1783.1-7300/1/th_redirect.html.

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

Council of Science Editors:

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

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


Penn State University

3. 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 September 17, 2019. https://etda.libraries.psu.edu/catalog/10825.

MLA Handbook (7th Edition):

Boland, Erin Katherine. “APPLICATION OF THE POLARIZATION MODEL TO.” 2010. Web. 17 Sep 2019.

Vancouver:

Boland EK. APPLICATION OF THE POLARIZATION MODEL TO. [Internet] [Masters thesis]. Penn State University; 2010. [cited 2019 Sep 17]. 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


University of Manitoba

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

Degree: Mechanical Engineering, 2016, University of Manitoba

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

Subjects/Keywords: Molecular Dynamics simulation; Materials Science

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APA (6th Edition):

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

Chicago Manual of Style (16th Edition):

Wei, Aoran. “Adsorption of protein on a au surface studied by all-atom atomistic simulations.” 2016. Masters Thesis, University of Manitoba. Accessed September 17, 2019. http://hdl.handle.net/1993/31807.

MLA Handbook (7th Edition):

Wei, Aoran. “Adsorption of protein on a au surface studied by all-atom atomistic simulations.” 2016. Web. 17 Sep 2019.

Vancouver:

Wei A. Adsorption of protein on a au surface studied by all-atom atomistic simulations. [Internet] [Masters thesis]. University of Manitoba; 2016. [cited 2019 Sep 17]. Available from: http://hdl.handle.net/1993/31807.

Council of Science Editors:

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


University of Illinois – Urbana-Champaign

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

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

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

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

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APA (6th Edition):

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

Chicago Manual of Style (16th Edition):

Liu, Bo. “Investigating translational control of the ribosome using molecular dynamics simulations.” 2016. Doctoral Dissertation, University of Illinois – Urbana-Champaign. Accessed September 17, 2019. http://hdl.handle.net/2142/92991.

MLA Handbook (7th Edition):

Liu, Bo. “Investigating translational control of the ribosome using molecular dynamics simulations.” 2016. Web. 17 Sep 2019.

Vancouver:

Liu B. Investigating translational control of the ribosome using molecular dynamics simulations. [Internet] [Doctoral dissertation]. University of Illinois – Urbana-Champaign; 2016. [cited 2019 Sep 17]. Available from: http://hdl.handle.net/2142/92991.

Council of Science Editors:

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

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

Degree: 2006, Helsinki University of Technology

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

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

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APA (6th Edition):

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

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

Chicago Manual of Style (16th Edition):

Zhao, Wei. “Molecular Modeling of Charged Membrane Systems.” 2006. Thesis, Helsinki University of Technology. Accessed September 17, 2019. http://lib.tkk.fi/Diss/2006/isbn9512284669/.

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

MLA Handbook (7th Edition):

Zhao, Wei. “Molecular Modeling of Charged Membrane Systems.” 2006. Web. 17 Sep 2019.

Vancouver:

Zhao W. Molecular Modeling of Charged Membrane Systems. [Internet] [Thesis]. Helsinki University of Technology; 2006. [cited 2019 Sep 17]. Available from: http://lib.tkk.fi/Diss/2006/isbn9512284669/.

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

Council of Science Editors:

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

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


University of Alberta

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

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

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

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

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APA (6th Edition):

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

Chicago Manual of Style (16th Edition):

Yan, Xinan. “Identification of atomistic mechanisms for grain boundary migration in [001] twist boundaries: molecular dynamics simulations.” 2009. Masters Thesis, University of Alberta. Accessed September 17, 2019. https://era.library.ualberta.ca/files/nc580m86b.

MLA Handbook (7th Edition):

Yan, Xinan. “Identification of atomistic mechanisms for grain boundary migration in [001] twist boundaries: molecular dynamics simulations.” 2009. Web. 17 Sep 2019.

Vancouver:

Yan X. Identification of atomistic mechanisms for grain boundary migration in [001] twist boundaries: molecular dynamics simulations. [Internet] [Masters thesis]. University of Alberta; 2009. [cited 2019 Sep 17]. Available from: https://era.library.ualberta.ca/files/nc580m86b.

Council of Science Editors:

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


University of Alberta

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

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

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

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

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APA (6th Edition):

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

Chicago Manual of Style (16th Edition):

Zhu, Di. “A molecular dynamics simulation study on Bauschinger’s effect in nano-scaled Cu systems with and without interfaces.” 2012. Masters Thesis, University of Alberta. Accessed September 17, 2019. https://era.library.ualberta.ca/files/nk322f51x.

MLA Handbook (7th Edition):

Zhu, Di. “A molecular dynamics simulation study on Bauschinger’s effect in nano-scaled Cu systems with and without interfaces.” 2012. Web. 17 Sep 2019.

Vancouver:

Zhu D. A molecular dynamics simulation study on Bauschinger’s effect in nano-scaled Cu systems with and without interfaces. [Internet] [Masters thesis]. University of Alberta; 2012. [cited 2019 Sep 17]. Available from: https://era.library.ualberta.ca/files/nk322f51x.

Council of Science Editors:

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


University of Alberta

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

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

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

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

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APA (6th Edition):

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

Chicago Manual of Style (16th Edition):

Szewczyk, Paulina. “Study of the phase behavior of triacylglycerols using molecular dynamics simulation.” 2010. Masters Thesis, University of Alberta. Accessed September 17, 2019. https://era.library.ualberta.ca/files/5m60qt25g.

MLA Handbook (7th Edition):

Szewczyk, Paulina. “Study of the phase behavior of triacylglycerols using molecular dynamics simulation.” 2010. Web. 17 Sep 2019.

Vancouver:

Szewczyk P. Study of the phase behavior of triacylglycerols using molecular dynamics simulation. [Internet] [Masters thesis]. University of Alberta; 2010. [cited 2019 Sep 17]. Available from: https://era.library.ualberta.ca/files/5m60qt25g.

Council of Science Editors:

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


Cornell University

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

Degree: 2013, Cornell University

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

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

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APA (6th Edition):

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

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):

Nguyen, Linh. “Atomistic Simulations And Modeling Of Deformation Mechanisms In Aluminum Under Experimental Conditions .” 2013. Thesis, Cornell University. Accessed September 17, 2019. http://hdl.handle.net/1813/33894.

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

MLA Handbook (7th Edition):

Nguyen, Linh. “Atomistic Simulations And Modeling Of Deformation Mechanisms In Aluminum Under Experimental Conditions .” 2013. Web. 17 Sep 2019.

Vancouver:

Nguyen L. Atomistic Simulations And Modeling Of Deformation Mechanisms In Aluminum Under Experimental Conditions . [Internet] [Thesis]. Cornell University; 2013. [cited 2019 Sep 17]. Available from: http://hdl.handle.net/1813/33894.

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

Council of Science Editors:

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

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


University of Akron

11. Nagireddy, Bharat. AN EFFECTIVE DRUG DELIVERY PROCESS USING A NOVEL CYLINDRICAL PARTICLE MODEL JUSTIFIED BY MOLECULAR DYNAMICS SIMULATION.

Degree: MS, Mechanical Engineering, 2007, University of Akron

 The fraction of the drug absorbed in the human body is dependent on a number of factors, namely, BCS classification of drugs, state of gastro-intestinal… (more)

Subjects/Keywords: Sociology, Criminology and Penology; MOLECULAR DYNAMICS SIMULATION

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APA (6th Edition):

Nagireddy, B. (2007). AN EFFECTIVE DRUG DELIVERY PROCESS USING A NOVEL CYLINDRICAL PARTICLE MODEL JUSTIFIED BY MOLECULAR DYNAMICS SIMULATION. (Masters Thesis). University of Akron. Retrieved from http://rave.ohiolink.edu/etdc/view?acc_num=akron1187105640

Chicago Manual of Style (16th Edition):

Nagireddy, Bharat. “AN EFFECTIVE DRUG DELIVERY PROCESS USING A NOVEL CYLINDRICAL PARTICLE MODEL JUSTIFIED BY MOLECULAR DYNAMICS SIMULATION.” 2007. Masters Thesis, University of Akron. Accessed September 17, 2019. http://rave.ohiolink.edu/etdc/view?acc_num=akron1187105640.

MLA Handbook (7th Edition):

Nagireddy, Bharat. “AN EFFECTIVE DRUG DELIVERY PROCESS USING A NOVEL CYLINDRICAL PARTICLE MODEL JUSTIFIED BY MOLECULAR DYNAMICS SIMULATION.” 2007. Web. 17 Sep 2019.

Vancouver:

Nagireddy B. AN EFFECTIVE DRUG DELIVERY PROCESS USING A NOVEL CYLINDRICAL PARTICLE MODEL JUSTIFIED BY MOLECULAR DYNAMICS SIMULATION. [Internet] [Masters thesis]. University of Akron; 2007. [cited 2019 Sep 17]. Available from: http://rave.ohiolink.edu/etdc/view?acc_num=akron1187105640.

Council of Science Editors:

Nagireddy B. AN EFFECTIVE DRUG DELIVERY PROCESS USING A NOVEL CYLINDRICAL PARTICLE MODEL JUSTIFIED BY MOLECULAR DYNAMICS SIMULATION. [Masters Thesis]. University of Akron; 2007. Available from: http://rave.ohiolink.edu/etdc/view?acc_num=akron1187105640


Louisiana State University

12. Lao, Jijun. Molecular dynamics simulation studies of surface-stress effects in metallic nanostructures.

Degree: PhD, Mechanical Engineering, 2010, Louisiana State University

 Using molecular dynamics (MD) simulations we investigate the surface-stress-induced structural transformations and pseudoelastic behavior in palladium (Pd) crystalline nanowires. For a <100> initial crystal orientation… (more)

Subjects/Keywords: Molecular dynamics simulation; surface stess; nanostructures

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APA (6th Edition):

Lao, J. (2010). Molecular dynamics simulation studies of surface-stress effects in metallic nanostructures. (Doctoral Dissertation). Louisiana State University. Retrieved from etd-04192011-164628 ; https://digitalcommons.lsu.edu/gradschool_dissertations/2037

Chicago Manual of Style (16th Edition):

Lao, Jijun. “Molecular dynamics simulation studies of surface-stress effects in metallic nanostructures.” 2010. Doctoral Dissertation, Louisiana State University. Accessed September 17, 2019. etd-04192011-164628 ; https://digitalcommons.lsu.edu/gradschool_dissertations/2037.

MLA Handbook (7th Edition):

Lao, Jijun. “Molecular dynamics simulation studies of surface-stress effects in metallic nanostructures.” 2010. Web. 17 Sep 2019.

Vancouver:

Lao J. Molecular dynamics simulation studies of surface-stress effects in metallic nanostructures. [Internet] [Doctoral dissertation]. Louisiana State University; 2010. [cited 2019 Sep 17]. Available from: etd-04192011-164628 ; https://digitalcommons.lsu.edu/gradschool_dissertations/2037.

Council of Science Editors:

Lao J. Molecular dynamics simulation studies of surface-stress effects in metallic nanostructures. [Doctoral Dissertation]. Louisiana State University; 2010. Available from: etd-04192011-164628 ; https://digitalcommons.lsu.edu/gradschool_dissertations/2037


Massey University

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

Degree: PhD, 2015, Massey University

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

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

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APA (6th Edition):

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

Chicago Manual of Style (16th Edition):

Wirz, Lukas N. “Graph theoretic and electronic properties of fullerenes, &, Biasing molecular modelling simulations with experimental residual dipolar couplings.” 2015. Doctoral Dissertation, Massey University. Accessed September 17, 2019. http://hdl.handle.net/10179/8276.

MLA Handbook (7th Edition):

Wirz, Lukas N. “Graph theoretic and electronic properties of fullerenes, &, Biasing molecular modelling simulations with experimental residual dipolar couplings.” 2015. Web. 17 Sep 2019.

Vancouver:

Wirz LN. Graph theoretic and electronic properties of fullerenes, &, Biasing molecular modelling simulations with experimental residual dipolar couplings. [Internet] [Doctoral dissertation]. Massey University; 2015. [cited 2019 Sep 17]. Available from: http://hdl.handle.net/10179/8276.

Council of Science Editors:

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


Virginia Tech

14. Balasubramanian, Ganesh. Modeling nanoscale transport phenomena: Implications for the continuum.

Degree: PhD, Engineering Science and Mechanics, 2011, Virginia Tech

 Transport phenomena at the nanoscale can differ from that at the continuum because the large surface area to volume ratio significantly influences material properties. While… (more)

Subjects/Keywords: molecular dynamics; Nanoscale transport; multiscale simulation

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APA (6th Edition):

Balasubramanian, G. (2011). Modeling nanoscale transport phenomena: Implications for the continuum. (Doctoral Dissertation). Virginia Tech. Retrieved from http://hdl.handle.net/10919/27288

Chicago Manual of Style (16th Edition):

Balasubramanian, Ganesh. “Modeling nanoscale transport phenomena: Implications for the continuum.” 2011. Doctoral Dissertation, Virginia Tech. Accessed September 17, 2019. http://hdl.handle.net/10919/27288.

MLA Handbook (7th Edition):

Balasubramanian, Ganesh. “Modeling nanoscale transport phenomena: Implications for the continuum.” 2011. Web. 17 Sep 2019.

Vancouver:

Balasubramanian G. Modeling nanoscale transport phenomena: Implications for the continuum. [Internet] [Doctoral dissertation]. Virginia Tech; 2011. [cited 2019 Sep 17]. Available from: http://hdl.handle.net/10919/27288.

Council of Science Editors:

Balasubramanian G. Modeling nanoscale transport phenomena: Implications for the continuum. [Doctoral Dissertation]. Virginia Tech; 2011. Available from: http://hdl.handle.net/10919/27288


Vanderbilt University

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

Degree: PhD, Chemical Engineering, 2012, Vanderbilt University

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

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

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APA (6th Edition):

Lewis, J. B. (2012). Investigation of Frictional Properties in Pure and Mixed Fluorocarbon/Hydrocarbon Monolayers by Molecular Simulations. (Doctoral Dissertation). Vanderbilt University. Retrieved from http://etd.library.vanderbilt.edu//available/etd-11272012-171512/ ;

Chicago Manual of Style (16th Edition):

Lewis, James Benjamin. “Investigation of Frictional Properties in Pure and Mixed Fluorocarbon/Hydrocarbon Monolayers by Molecular Simulations.” 2012. Doctoral Dissertation, Vanderbilt University. Accessed September 17, 2019. http://etd.library.vanderbilt.edu//available/etd-11272012-171512/ ;.

MLA Handbook (7th Edition):

Lewis, James Benjamin. “Investigation of Frictional Properties in Pure and Mixed Fluorocarbon/Hydrocarbon Monolayers by Molecular Simulations.” 2012. Web. 17 Sep 2019.

Vancouver:

Lewis JB. Investigation of Frictional Properties in Pure and Mixed Fluorocarbon/Hydrocarbon Monolayers by Molecular Simulations. [Internet] [Doctoral dissertation]. Vanderbilt University; 2012. [cited 2019 Sep 17]. Available from: http://etd.library.vanderbilt.edu//available/etd-11272012-171512/ ;.

Council of Science Editors:

Lewis JB. Investigation of Frictional Properties in Pure and Mixed Fluorocarbon/Hydrocarbon Monolayers by Molecular Simulations. [Doctoral Dissertation]. Vanderbilt University; 2012. Available from: http://etd.library.vanderbilt.edu//available/etd-11272012-171512/ ;


University of Wollongong

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

Degree: PhD, 2014, University of Wollongong

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

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

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APA (6th Edition):

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

Chicago Manual of Style (16th Edition):

Zheng, Xuan. “Molecular dynamics simulation of boundary lubricated contacts.” 2014. Doctoral Dissertation, University of Wollongong. Accessed September 17, 2019. ; https://ro.uow.edu.au/theses/4170.

MLA Handbook (7th Edition):

Zheng, Xuan. “Molecular dynamics simulation of boundary lubricated contacts.” 2014. Web. 17 Sep 2019.

Vancouver:

Zheng X. Molecular dynamics simulation of boundary lubricated contacts. [Internet] [Doctoral dissertation]. University of Wollongong; 2014. [cited 2019 Sep 17]. Available from: ; https://ro.uow.edu.au/theses/4170.

Council of Science Editors:

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


University of New South Wales

17. Xu, Wen. Molecular dynamics studies of the structure and mechanical properties of clay-based polymer nanocomposites.

Degree: Materials Science & Engineering, 2013, University of New South Wales

 Clay-based polymer nanocomposites are well known for their many advantageous properties, e.g., electrical, thermal and optical properties, especially the greatly reinforced mechanical properties. No matter… (more)

Subjects/Keywords: Mechanical properties; Molecular dynamics simulation; Exfoliated nanocomposites

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APA (6th Edition):

Xu, W. (2013). Molecular dynamics studies of the structure and mechanical properties of clay-based polymer nanocomposites. (Doctoral Dissertation). University of New South Wales. Retrieved from http://handle.unsw.edu.au/1959.4/52439 ; https://unsworks.unsw.edu.au/fapi/datastream/unsworks:11112/SOURCE01?view=true

Chicago Manual of Style (16th Edition):

Xu, Wen. “Molecular dynamics studies of the structure and mechanical properties of clay-based polymer nanocomposites.” 2013. Doctoral Dissertation, University of New South Wales. Accessed September 17, 2019. http://handle.unsw.edu.au/1959.4/52439 ; https://unsworks.unsw.edu.au/fapi/datastream/unsworks:11112/SOURCE01?view=true.

MLA Handbook (7th Edition):

Xu, Wen. “Molecular dynamics studies of the structure and mechanical properties of clay-based polymer nanocomposites.” 2013. Web. 17 Sep 2019.

Vancouver:

Xu W. Molecular dynamics studies of the structure and mechanical properties of clay-based polymer nanocomposites. [Internet] [Doctoral dissertation]. University of New South Wales; 2013. [cited 2019 Sep 17]. Available from: http://handle.unsw.edu.au/1959.4/52439 ; https://unsworks.unsw.edu.au/fapi/datastream/unsworks:11112/SOURCE01?view=true.

Council of Science Editors:

Xu W. Molecular dynamics studies of the structure and mechanical properties of clay-based polymer nanocomposites. [Doctoral Dissertation]. University of New South Wales; 2013. Available from: http://handle.unsw.edu.au/1959.4/52439 ; https://unsworks.unsw.edu.au/fapi/datastream/unsworks:11112/SOURCE01?view=true

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

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

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

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

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APA (6th Edition):

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

Chicago Manual of Style (16th Edition):

Suk, Myung eun. “Structure, property and transport mechanism of water and electrolytes in graphene nanopores.” 2013. Doctoral Dissertation, University of Illinois – Urbana-Champaign. Accessed September 17, 2019. http://hdl.handle.net/2142/45641.

MLA Handbook (7th Edition):

Suk, Myung eun. “Structure, property and transport mechanism of water and electrolytes in graphene nanopores.” 2013. Web. 17 Sep 2019.

Vancouver:

Suk Me. Structure, property and transport mechanism of water and electrolytes in graphene nanopores. [Internet] [Doctoral dissertation]. University of Illinois – Urbana-Champaign; 2013. [cited 2019 Sep 17]. Available from: http://hdl.handle.net/2142/45641.

Council of Science Editors:

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


University of Illinois – Urbana-Champaign

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

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

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

Subjects/Keywords: heat transfer coefficient; molecular dynamics simulation

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APA (6th Edition):

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

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

Chicago Manual of Style (16th Edition):

Borowiec, Katarzyna. “Molecular dynamic simulation of pool boiling process.” 2017. Thesis, University of Illinois – Urbana-Champaign. Accessed September 17, 2019. http://hdl.handle.net/2142/99364.

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

MLA Handbook (7th Edition):

Borowiec, Katarzyna. “Molecular dynamic simulation of pool boiling process.” 2017. Web. 17 Sep 2019.

Vancouver:

Borowiec K. Molecular dynamic simulation of pool boiling process. [Internet] [Thesis]. University of Illinois – Urbana-Champaign; 2017. [cited 2019 Sep 17]. Available from: http://hdl.handle.net/2142/99364.

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

Council of Science Editors:

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

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


University of Missouri – Columbia

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

Degree: 2011, University of Missouri – Columbia

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

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

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APA (6th Edition):

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

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

Chicago Manual of Style (16th Edition):

Jia, Tao. “Dynamic simulation of particulate and molecular systems.” 2011. Thesis, University of Missouri – Columbia. Accessed September 17, 2019. http://hdl.handle.net/10355/14507.

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

MLA Handbook (7th Edition):

Jia, Tao. “Dynamic simulation of particulate and molecular systems.” 2011. Web. 17 Sep 2019.

Vancouver:

Jia T. Dynamic simulation of particulate and molecular systems. [Internet] [Thesis]. University of Missouri – Columbia; 2011. [cited 2019 Sep 17]. Available from: http://hdl.handle.net/10355/14507.

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

Council of Science Editors:

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

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


University of Notre Dame

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

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

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

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

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APA (6th Edition):

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

Chicago Manual of Style (16th Edition):

Wu, Hao. “Dynamics and Water Solubility of Ionic Liquids for CO2 Capture Using Molecular Dynamics Simulation</h1>.” 2013. Doctoral Dissertation, University of Notre Dame. Accessed September 17, 2019. https://curate.nd.edu/show/p2676t07g73.

MLA Handbook (7th Edition):

Wu, Hao. “Dynamics and Water Solubility of Ionic Liquids for CO2 Capture Using Molecular Dynamics Simulation</h1>.” 2013. Web. 17 Sep 2019.

Vancouver:

Wu H. Dynamics and Water Solubility of Ionic Liquids for CO2 Capture Using Molecular Dynamics Simulation</h1>. [Internet] [Doctoral dissertation]. University of Notre Dame; 2013. [cited 2019 Sep 17]. Available from: https://curate.nd.edu/show/p2676t07g73.

Council of Science Editors:

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

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

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

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

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

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APA (6th Edition):

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

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

Chicago Manual of Style (16th Edition):

Morriss-Andrews, Herbert Alexander. “Coarse-Grained Molecular Dynamics Simulations of Peptide Aggregation on Surfaces.” 2014. Thesis, University of California – eScholarship, University of California. Accessed September 17, 2019. http://www.escholarship.org/uc/item/2ms586vt.

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

MLA Handbook (7th Edition):

Morriss-Andrews, Herbert Alexander. “Coarse-Grained Molecular Dynamics Simulations of Peptide Aggregation on Surfaces.” 2014. Web. 17 Sep 2019.

Vancouver:

Morriss-Andrews HA. Coarse-Grained Molecular Dynamics Simulations of Peptide Aggregation on Surfaces. [Internet] [Thesis]. University of California – eScholarship, University of California; 2014. [cited 2019 Sep 17]. Available from: http://www.escholarship.org/uc/item/2ms586vt.

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

Council of Science Editors:

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

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


University of Edinburgh

23. Gkeka, Paraskevi. Molecular dynamics studies of peptide-membrane interactions : insights from coarse-grained models.

Degree: PhD, 2010, University of Edinburgh

 Peptide-membrane interactions play an important role in a number of biological processes, such as antimicrobial defence mechanisms, viral translocation, membrane fusion and functions ofmembrane proteins.… (more)

Subjects/Keywords: 572; molecular dynamics; simulation; coarse-grained models

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APA (6th Edition):

Gkeka, P. (2010). Molecular dynamics studies of peptide-membrane interactions : insights from coarse-grained models. (Doctoral Dissertation). University of Edinburgh. Retrieved from http://hdl.handle.net/1842/4652

Chicago Manual of Style (16th Edition):

Gkeka, Paraskevi. “Molecular dynamics studies of peptide-membrane interactions : insights from coarse-grained models.” 2010. Doctoral Dissertation, University of Edinburgh. Accessed September 17, 2019. http://hdl.handle.net/1842/4652.

MLA Handbook (7th Edition):

Gkeka, Paraskevi. “Molecular dynamics studies of peptide-membrane interactions : insights from coarse-grained models.” 2010. Web. 17 Sep 2019.

Vancouver:

Gkeka P. Molecular dynamics studies of peptide-membrane interactions : insights from coarse-grained models. [Internet] [Doctoral dissertation]. University of Edinburgh; 2010. [cited 2019 Sep 17]. Available from: http://hdl.handle.net/1842/4652.

Council of Science Editors:

Gkeka P. Molecular dynamics studies of peptide-membrane interactions : insights from coarse-grained models. [Doctoral Dissertation]. University of Edinburgh; 2010. Available from: http://hdl.handle.net/1842/4652


IUPUI

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

Degree: 2019, IUPUI

Indiana University-Purdue University Indianapolis (IUPUI)

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

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

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APA (6th Edition):

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

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

Chicago Manual of Style (16th Edition):

Kazemi, Amirreza. “Atomistic Study of the Effect of Magnesium Dopants on Nancrystalline Aluminium.” 2019. Thesis, IUPUI. Accessed September 17, 2019. http://hdl.handle.net/1805/19991.

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

MLA Handbook (7th Edition):

Kazemi, Amirreza. “Atomistic Study of the Effect of Magnesium Dopants on Nancrystalline Aluminium.” 2019. Web. 17 Sep 2019.

Vancouver:

Kazemi A. Atomistic Study of the Effect of Magnesium Dopants on Nancrystalline Aluminium. [Internet] [Thesis]. IUPUI; 2019. [cited 2019 Sep 17]. Available from: http://hdl.handle.net/1805/19991.

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

Council of Science Editors:

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

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


Rutgers University

25. Xu, Guangji, 1986-. Characterization of asphalt properties and asphalt-aggregate interaction using molecular dynamics simulation.

Degree: PhD, Civil and Environmental Engineering, 2017, Rutgers University

The objectives of this dissertation are to discover the chemo-mechanical relationship of asphalt binder, to investigate asphalt-aggregate interfacial mechanical behavior, and to understand moisture damage… (more)

Subjects/Keywords: Asphalt concrete; Molecular dynamics – Computer simulation

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APA (6th Edition):

Xu, Guangji, 1. (2017). Characterization of asphalt properties and asphalt-aggregate interaction using molecular dynamics simulation. (Doctoral Dissertation). Rutgers University. Retrieved from https://rucore.libraries.rutgers.edu/rutgers-lib/54048/

Chicago Manual of Style (16th Edition):

Xu, Guangji, 1986-. “Characterization of asphalt properties and asphalt-aggregate interaction using molecular dynamics simulation.” 2017. Doctoral Dissertation, Rutgers University. Accessed September 17, 2019. https://rucore.libraries.rutgers.edu/rutgers-lib/54048/.

MLA Handbook (7th Edition):

Xu, Guangji, 1986-. “Characterization of asphalt properties and asphalt-aggregate interaction using molecular dynamics simulation.” 2017. Web. 17 Sep 2019.

Vancouver:

Xu, Guangji 1. Characterization of asphalt properties and asphalt-aggregate interaction using molecular dynamics simulation. [Internet] [Doctoral dissertation]. Rutgers University; 2017. [cited 2019 Sep 17]. Available from: https://rucore.libraries.rutgers.edu/rutgers-lib/54048/.

Council of Science Editors:

Xu, Guangji 1. Characterization of asphalt properties and asphalt-aggregate interaction using molecular dynamics simulation. [Doctoral Dissertation]. Rutgers University; 2017. Available from: https://rucore.libraries.rutgers.edu/rutgers-lib/54048/


Rutgers University

26. Balasubramanian, Vivekanandan, 1991-. Towards frameworks for large scale ensemble-based execution patterns.

Degree: MS, Electrical and Computer Engineering, 2015, Rutgers University

 Towards Frameworks for Large Scale Ensemble-based Execution Patterns by Vivekanandan Balasubramanian Thesis Director: Dr. Shantenu Jha A major challenge in the field of chemical sciences… (more)

Subjects/Keywords: Molecular dynamics – Computer simulation; Macromolecular Systems

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APA (6th Edition):

Balasubramanian, Vivekanandan, 1. (2015). Towards frameworks for large scale ensemble-based execution patterns. (Masters Thesis). Rutgers University. Retrieved from https://rucore.libraries.rutgers.edu/rutgers-lib/47253/

Chicago Manual of Style (16th Edition):

Balasubramanian, Vivekanandan, 1991-. “Towards frameworks for large scale ensemble-based execution patterns.” 2015. Masters Thesis, Rutgers University. Accessed September 17, 2019. https://rucore.libraries.rutgers.edu/rutgers-lib/47253/.

MLA Handbook (7th Edition):

Balasubramanian, Vivekanandan, 1991-. “Towards frameworks for large scale ensemble-based execution patterns.” 2015. Web. 17 Sep 2019.

Vancouver:

Balasubramanian, Vivekanandan 1. Towards frameworks for large scale ensemble-based execution patterns. [Internet] [Masters thesis]. Rutgers University; 2015. [cited 2019 Sep 17]. Available from: https://rucore.libraries.rutgers.edu/rutgers-lib/47253/.

Council of Science Editors:

Balasubramanian, Vivekanandan 1. Towards frameworks for large scale ensemble-based execution patterns. [Masters Thesis]. Rutgers University; 2015. Available from: https://rucore.libraries.rutgers.edu/rutgers-lib/47253/


University of Arizona

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

Degree: 2017, University of Arizona

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

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

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APA (6th Edition):

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

Chicago Manual of Style (16th Edition):

Sadat, Mohammad Rafat. “Using Molecular Dynamics and Peridynamics Simulations to Better Understand Geopolymer .” 2017. Doctoral Dissertation, University of Arizona. Accessed September 17, 2019. http://hdl.handle.net/10150/626361.

MLA Handbook (7th Edition):

Sadat, Mohammad Rafat. “Using Molecular Dynamics and Peridynamics Simulations to Better Understand Geopolymer .” 2017. Web. 17 Sep 2019.

Vancouver:

Sadat MR. Using Molecular Dynamics and Peridynamics Simulations to Better Understand Geopolymer . [Internet] [Doctoral dissertation]. University of Arizona; 2017. [cited 2019 Sep 17]. Available from: http://hdl.handle.net/10150/626361.

Council of Science Editors:

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


University of Minnesota

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

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

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

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

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APA (6th Edition):

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

Chicago Manual of Style (16th Edition):

Chen, Qile. “Molecular Simulations of Phase Behavior for Polymer Blends and Block Polymers.” 2018. Doctoral Dissertation, University of Minnesota. Accessed September 17, 2019. http://hdl.handle.net/11299/198992.

MLA Handbook (7th Edition):

Chen, Qile. “Molecular Simulations of Phase Behavior for Polymer Blends and Block Polymers.” 2018. Web. 17 Sep 2019.

Vancouver:

Chen Q. Molecular Simulations of Phase Behavior for Polymer Blends and Block Polymers. [Internet] [Doctoral dissertation]. University of Minnesota; 2018. [cited 2019 Sep 17]. Available from: http://hdl.handle.net/11299/198992.

Council of Science Editors:

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


Louisiana State University

29. He, Xiaoxia. Molecular Dynamics Simulation of the Structure, Dynamics and Crystallization of Ionic Liquids under Confinement and Low Temperature.

Degree: PhD, Chemical Engineering, 2015, Louisiana State University

 Ionic liquids (ILs) have sparked widespread interest due to their peculiar properties and the resulting possibility of manifold applications. In this dissertation, molecular dynamics (MD)… (more)

Subjects/Keywords: nucleation; dynamics; structure; ionic liquids; molecular dynamics simulation

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APA (6th Edition):

He, X. (2015). Molecular Dynamics Simulation of the Structure, Dynamics and Crystallization of Ionic Liquids under Confinement and Low Temperature. (Doctoral Dissertation). Louisiana State University. Retrieved from etd-10252015-165339 ; https://digitalcommons.lsu.edu/gradschool_dissertations/3929

Chicago Manual of Style (16th Edition):

He, Xiaoxia. “Molecular Dynamics Simulation of the Structure, Dynamics and Crystallization of Ionic Liquids under Confinement and Low Temperature.” 2015. Doctoral Dissertation, Louisiana State University. Accessed September 17, 2019. etd-10252015-165339 ; https://digitalcommons.lsu.edu/gradschool_dissertations/3929.

MLA Handbook (7th Edition):

He, Xiaoxia. “Molecular Dynamics Simulation of the Structure, Dynamics and Crystallization of Ionic Liquids under Confinement and Low Temperature.” 2015. Web. 17 Sep 2019.

Vancouver:

He X. Molecular Dynamics Simulation of the Structure, Dynamics and Crystallization of Ionic Liquids under Confinement and Low Temperature. [Internet] [Doctoral dissertation]. Louisiana State University; 2015. [cited 2019 Sep 17]. Available from: etd-10252015-165339 ; https://digitalcommons.lsu.edu/gradschool_dissertations/3929.

Council of Science Editors:

He X. Molecular Dynamics Simulation of the Structure, Dynamics and Crystallization of Ionic Liquids under Confinement and Low Temperature. [Doctoral Dissertation]. Louisiana State University; 2015. Available from: etd-10252015-165339 ; https://digitalcommons.lsu.edu/gradschool_dissertations/3929


University of Akron

30. Diaz Vela, Daniel Mauricio. Origins and Implications of Translational/Reorientational Decoupling in Bulk and Nanoconfined Glass-Forming Liquids.

Degree: PhD, Polymer Engineering, 2018, University of Akron

 One of the most important questions in the field of noncommitment has been the nature and origin of the alterations in dynamics encountered near free… (more)

Subjects/Keywords: Polymers; Physics; Nanoconfinement effects; glass transition; molecular dynamics simulation; interfacial dynamics

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APA (6th Edition):

Diaz Vela, D. M. (2018). Origins and Implications of Translational/Reorientational Decoupling in Bulk and Nanoconfined Glass-Forming Liquids. (Doctoral Dissertation). University of Akron. Retrieved from http://rave.ohiolink.edu/etdc/view?acc_num=akron1544098271236867

Chicago Manual of Style (16th Edition):

Diaz Vela, Daniel Mauricio. “Origins and Implications of Translational/Reorientational Decoupling in Bulk and Nanoconfined Glass-Forming Liquids.” 2018. Doctoral Dissertation, University of Akron. Accessed September 17, 2019. http://rave.ohiolink.edu/etdc/view?acc_num=akron1544098271236867.

MLA Handbook (7th Edition):

Diaz Vela, Daniel Mauricio. “Origins and Implications of Translational/Reorientational Decoupling in Bulk and Nanoconfined Glass-Forming Liquids.” 2018. Web. 17 Sep 2019.

Vancouver:

Diaz Vela DM. Origins and Implications of Translational/Reorientational Decoupling in Bulk and Nanoconfined Glass-Forming Liquids. [Internet] [Doctoral dissertation]. University of Akron; 2018. [cited 2019 Sep 17]. Available from: http://rave.ohiolink.edu/etdc/view?acc_num=akron1544098271236867.

Council of Science Editors:

Diaz Vela DM. Origins and Implications of Translational/Reorientational Decoupling in Bulk and Nanoconfined Glass-Forming Liquids. [Doctoral Dissertation]. University of Akron; 2018. Available from: http://rave.ohiolink.edu/etdc/view?acc_num=akron1544098271236867

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