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University: University of Illinois – Urbana-Champaign

You searched for subject:(Molecular Dynamics). Showing records 1 – 30 of 78 total matches.

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University of Illinois – Urbana-Champaign

1. 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 July 08, 2020. http://hdl.handle.net/2142/92991.

MLA Handbook (7th Edition):

Liu, Bo. “Investigating translational control of the ribosome using molecular dynamics simulations.” 2016. Web. 08 Jul 2020.

Vancouver:

Liu B. Investigating translational control of the ribosome using molecular dynamics simulations. [Internet] [Doctoral dissertation]. University of Illinois – Urbana-Champaign; 2016. [cited 2020 Jul 08]. 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

2. 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 July 08, 2020. 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. 08 Jul 2020.

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 2020 Jul 08]. 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

3. 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 July 08, 2020. 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. 08 Jul 2020.

Vancouver:

Borowiec K. Molecular dynamic simulation of pool boiling process. [Internet] [Thesis]. University of Illinois – Urbana-Champaign; 2017. [cited 2020 Jul 08]. 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 Illinois – Urbana-Champaign

4. Fuerste, Wade. Predicting precursor size effects on organic cage formation with molecular dynamics.

Degree: MS, Chemistry, 2017, University of Illinois – Urbana-Champaign

 The recently developed porous organic molecular cage is a promising class of porous materials, which has already opened new ways for specific reaction environment development,… (more)

Subjects/Keywords: Porous organic cages; Molecular dynamics; Cage formation

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APA (6th Edition):

Fuerste, W. (2017). Predicting precursor size effects on organic cage formation with molecular dynamics. (Thesis). University of Illinois – Urbana-Champaign. Retrieved from http://hdl.handle.net/2142/99413

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):

Fuerste, Wade. “Predicting precursor size effects on organic cage formation with molecular dynamics.” 2017. Thesis, University of Illinois – Urbana-Champaign. Accessed July 08, 2020. http://hdl.handle.net/2142/99413.

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

MLA Handbook (7th Edition):

Fuerste, Wade. “Predicting precursor size effects on organic cage formation with molecular dynamics.” 2017. Web. 08 Jul 2020.

Vancouver:

Fuerste W. Predicting precursor size effects on organic cage formation with molecular dynamics. [Internet] [Thesis]. University of Illinois – Urbana-Champaign; 2017. [cited 2020 Jul 08]. Available from: http://hdl.handle.net/2142/99413.

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

Council of Science Editors:

Fuerste W. Predicting precursor size effects on organic cage formation with molecular dynamics. [Thesis]. University of Illinois – Urbana-Champaign; 2017. Available from: http://hdl.handle.net/2142/99413

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

5. Vermaas, Joshua V. Interfacial modulation of protein function explored through atomistic molecular dynamics simulation.

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

Molecular dynamics (MD) has a long history of being used to advance our understanding of the natural world, and is a powerful tool to guide… (more)

Subjects/Keywords: Molecular Dynamics; Membrane Interface; Lignocellulosic Interface

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APA (6th Edition):

Vermaas, J. V. (2016). Interfacial modulation of protein function explored through atomistic molecular dynamics simulation. (Doctoral Dissertation). University of Illinois – Urbana-Champaign. Retrieved from http://hdl.handle.net/2142/90518

Chicago Manual of Style (16th Edition):

Vermaas, Joshua V. “Interfacial modulation of protein function explored through atomistic molecular dynamics simulation.” 2016. Doctoral Dissertation, University of Illinois – Urbana-Champaign. Accessed July 08, 2020. http://hdl.handle.net/2142/90518.

MLA Handbook (7th Edition):

Vermaas, Joshua V. “Interfacial modulation of protein function explored through atomistic molecular dynamics simulation.” 2016. Web. 08 Jul 2020.

Vancouver:

Vermaas JV. Interfacial modulation of protein function explored through atomistic molecular dynamics simulation. [Internet] [Doctoral dissertation]. University of Illinois – Urbana-Champaign; 2016. [cited 2020 Jul 08]. Available from: http://hdl.handle.net/2142/90518.

Council of Science Editors:

Vermaas JV. Interfacial modulation of protein function explored through atomistic molecular dynamics simulation. [Doctoral Dissertation]. University of Illinois – Urbana-Champaign; 2016. Available from: http://hdl.handle.net/2142/90518


University of Illinois – Urbana-Champaign

6. Kunal, Kumar. Computational modeling of intrinsic dissipation in nano-structure.

Degree: PhD, Theoretical & Applied Mechans, 2016, University of Illinois – Urbana-Champaign

 In this work, using computational modeling, we study the different mechanisms of intrinsic dissipation in nano-electro mechanical systems (NEMS). We, first, use molecular dynamics (MD)… (more)

Subjects/Keywords: Dissipation; Computational Modeling; Molecular Dynamics; Multi-Scale

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APA (6th Edition):

Kunal, K. (2016). Computational modeling of intrinsic dissipation in nano-structure. (Doctoral Dissertation). University of Illinois – Urbana-Champaign. Retrieved from http://hdl.handle.net/2142/90707

Chicago Manual of Style (16th Edition):

Kunal, Kumar. “Computational modeling of intrinsic dissipation in nano-structure.” 2016. Doctoral Dissertation, University of Illinois – Urbana-Champaign. Accessed July 08, 2020. http://hdl.handle.net/2142/90707.

MLA Handbook (7th Edition):

Kunal, Kumar. “Computational modeling of intrinsic dissipation in nano-structure.” 2016. Web. 08 Jul 2020.

Vancouver:

Kunal K. Computational modeling of intrinsic dissipation in nano-structure. [Internet] [Doctoral dissertation]. University of Illinois – Urbana-Champaign; 2016. [cited 2020 Jul 08]. Available from: http://hdl.handle.net/2142/90707.

Council of Science Editors:

Kunal K. Computational modeling of intrinsic dissipation in nano-structure. [Doctoral Dissertation]. University of Illinois – Urbana-Champaign; 2016. Available from: http://hdl.handle.net/2142/90707


University of Illinois – Urbana-Champaign

7. Baylon Cardiel, Javier Lorenzo. Atomic-level characterization of protein-lipid interactions using molecular dynamics simulations.

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

 Peripheral membrane proteins are structurally diverse proteins that are involved in fundamental cellular processes. Their activity of these proteins is frequently modulated through their interaction… (more)

Subjects/Keywords: Membrane; Peripheral proteins; Molecular dynamics; Lipids

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APA (6th Edition):

Baylon Cardiel, J. L. (2016). Atomic-level characterization of protein-lipid interactions using molecular dynamics simulations. (Doctoral Dissertation). University of Illinois – Urbana-Champaign. Retrieved from http://hdl.handle.net/2142/92708

Chicago Manual of Style (16th Edition):

Baylon Cardiel, Javier Lorenzo. “Atomic-level characterization of protein-lipid interactions using molecular dynamics simulations.” 2016. Doctoral Dissertation, University of Illinois – Urbana-Champaign. Accessed July 08, 2020. http://hdl.handle.net/2142/92708.

MLA Handbook (7th Edition):

Baylon Cardiel, Javier Lorenzo. “Atomic-level characterization of protein-lipid interactions using molecular dynamics simulations.” 2016. Web. 08 Jul 2020.

Vancouver:

Baylon Cardiel JL. Atomic-level characterization of protein-lipid interactions using molecular dynamics simulations. [Internet] [Doctoral dissertation]. University of Illinois – Urbana-Champaign; 2016. [cited 2020 Jul 08]. Available from: http://hdl.handle.net/2142/92708.

Council of Science Editors:

Baylon Cardiel JL. Atomic-level characterization of protein-lipid interactions using molecular dynamics simulations. [Doctoral Dissertation]. University of Illinois – Urbana-Champaign; 2016. Available from: http://hdl.handle.net/2142/92708

8. Li, Chen-Yu. Transport properties of DNA nanostructures.

Degree: PhD, Biophysics & Computnl Biology, 2017, University of Illinois – Urbana-Champaign

 Besides the role of genetic information storage, DNA has been proposed as a new material in nanotechnology. The idea came from the nature-occurring Holliday junction… (more)

Subjects/Keywords: Deoxyribonucleic acid (DNA) origami; Molecular dynamics simulation

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APA (6th Edition):

Li, C. (2017). Transport properties of DNA nanostructures. (Doctoral Dissertation). University of Illinois – Urbana-Champaign. Retrieved from http://hdl.handle.net/2142/98248

Chicago Manual of Style (16th Edition):

Li, Chen-Yu. “Transport properties of DNA nanostructures.” 2017. Doctoral Dissertation, University of Illinois – Urbana-Champaign. Accessed July 08, 2020. http://hdl.handle.net/2142/98248.

MLA Handbook (7th Edition):

Li, Chen-Yu. “Transport properties of DNA nanostructures.” 2017. Web. 08 Jul 2020.

Vancouver:

Li C. Transport properties of DNA nanostructures. [Internet] [Doctoral dissertation]. University of Illinois – Urbana-Champaign; 2017. [cited 2020 Jul 08]. Available from: http://hdl.handle.net/2142/98248.

Council of Science Editors:

Li C. Transport properties of DNA nanostructures. [Doctoral Dissertation]. University of Illinois – Urbana-Champaign; 2017. Available from: http://hdl.handle.net/2142/98248


University of Illinois – Urbana-Champaign

9. Ramlawi, Nabil. A coarse grained transport model for nanofluidic systems.

Degree: MS, Mechanical Engineering, 2018, University of Illinois – Urbana-Champaign

Molecular Dynamics (MD) is an important tool to simulate flows at the nanoscale. The limitation of MD in simulating important biological and chemical systems having… (more)

Subjects/Keywords: Molecular Dynamics; Nanofluidic Transport; Coarse-graining

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APA (6th Edition):

Ramlawi, N. (2018). A coarse grained transport model for nanofluidic systems. (Thesis). University of Illinois – Urbana-Champaign. Retrieved from http://hdl.handle.net/2142/102433

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):

Ramlawi, Nabil. “A coarse grained transport model for nanofluidic systems.” 2018. Thesis, University of Illinois – Urbana-Champaign. Accessed July 08, 2020. http://hdl.handle.net/2142/102433.

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

MLA Handbook (7th Edition):

Ramlawi, Nabil. “A coarse grained transport model for nanofluidic systems.” 2018. Web. 08 Jul 2020.

Vancouver:

Ramlawi N. A coarse grained transport model for nanofluidic systems. [Internet] [Thesis]. University of Illinois – Urbana-Champaign; 2018. [cited 2020 Jul 08]. Available from: http://hdl.handle.net/2142/102433.

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

Council of Science Editors:

Ramlawi N. A coarse grained transport model for nanofluidic systems. [Thesis]. University of Illinois – Urbana-Champaign; 2018. Available from: http://hdl.handle.net/2142/102433

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


University of Illinois – Urbana-Champaign

10. Thurston, Bryce A. Composition, thermodynamics, and morphology: A multi-scale computational approach for the design of self-assembling peptides.

Degree: PhD, Physics, 2018, University of Illinois – Urbana-Champaign

 Peptide self-assembly has generated significant interest as a means for the bottom-up fabrication of highly tunable biocompatible nanoaggregates. Individual peptides can be synthesized to include… (more)

Subjects/Keywords: Self-Assembly; Molecular Dynamics; Peptide; QSAR/QSPR

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APA (6th Edition):

Thurston, B. A. (2018). Composition, thermodynamics, and morphology: A multi-scale computational approach for the design of self-assembling peptides. (Doctoral Dissertation). University of Illinois – Urbana-Champaign. Retrieved from http://hdl.handle.net/2142/102446

Chicago Manual of Style (16th Edition):

Thurston, Bryce A. “Composition, thermodynamics, and morphology: A multi-scale computational approach for the design of self-assembling peptides.” 2018. Doctoral Dissertation, University of Illinois – Urbana-Champaign. Accessed July 08, 2020. http://hdl.handle.net/2142/102446.

MLA Handbook (7th Edition):

Thurston, Bryce A. “Composition, thermodynamics, and morphology: A multi-scale computational approach for the design of self-assembling peptides.” 2018. Web. 08 Jul 2020.

Vancouver:

Thurston BA. Composition, thermodynamics, and morphology: A multi-scale computational approach for the design of self-assembling peptides. [Internet] [Doctoral dissertation]. University of Illinois – Urbana-Champaign; 2018. [cited 2020 Jul 08]. Available from: http://hdl.handle.net/2142/102446.

Council of Science Editors:

Thurston BA. Composition, thermodynamics, and morphology: A multi-scale computational approach for the design of self-assembling peptides. [Doctoral Dissertation]. University of Illinois – Urbana-Champaign; 2018. Available from: http://hdl.handle.net/2142/102446


University of Illinois – Urbana-Champaign

11. Wang, Yuhang. Computational characterization of membrane proteins at the atomic level.

Degree: PhD, Biophysics & Computnl Biology, 2017, University of Illinois – Urbana-Champaign

 Membrane proteins are proteins either embedded or located at the peripheral of the biological membrane. The functions of membrane proteins include importing/exporting ions/small molecules into/output… (more)

Subjects/Keywords: membrane proteins; molecular dynamics; atomic level

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APA (6th Edition):

Wang, Y. (2017). Computational characterization of membrane proteins at the atomic level. (Doctoral Dissertation). University of Illinois – Urbana-Champaign. Retrieved from http://hdl.handle.net/2142/99496

Chicago Manual of Style (16th Edition):

Wang, Yuhang. “Computational characterization of membrane proteins at the atomic level.” 2017. Doctoral Dissertation, University of Illinois – Urbana-Champaign. Accessed July 08, 2020. http://hdl.handle.net/2142/99496.

MLA Handbook (7th Edition):

Wang, Yuhang. “Computational characterization of membrane proteins at the atomic level.” 2017. Web. 08 Jul 2020.

Vancouver:

Wang Y. Computational characterization of membrane proteins at the atomic level. [Internet] [Doctoral dissertation]. University of Illinois – Urbana-Champaign; 2017. [cited 2020 Jul 08]. Available from: http://hdl.handle.net/2142/99496.

Council of Science Editors:

Wang Y. Computational characterization of membrane proteins at the atomic level. [Doctoral Dissertation]. University of Illinois – Urbana-Champaign; 2017. Available from: http://hdl.handle.net/2142/99496


University of Illinois – Urbana-Champaign

12. Maffeo, Christopher. Quantitative all-atom and coarse-grained molecular dynamics simulation studies of DNA.

Degree: PhD, 0240, 2015, University of Illinois – Urbana-Champaign

 The remarkable molecule that encodes genetic information for all life on earth—DNA—is a polymer with unusual physical properties. The mechanical and electrostatic properties of DNA… (more)

Subjects/Keywords: Deoxyribonucleic Acid (DNA); all-atom molecular dynamics; coarse-grained molecular dynamics; single-stranded DNA binding protein

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APA (6th Edition):

Maffeo, C. (2015). Quantitative all-atom and coarse-grained molecular dynamics simulation studies of DNA. (Doctoral Dissertation). University of Illinois – Urbana-Champaign. Retrieved from http://hdl.handle.net/2142/72871

Chicago Manual of Style (16th Edition):

Maffeo, Christopher. “Quantitative all-atom and coarse-grained molecular dynamics simulation studies of DNA.” 2015. Doctoral Dissertation, University of Illinois – Urbana-Champaign. Accessed July 08, 2020. http://hdl.handle.net/2142/72871.

MLA Handbook (7th Edition):

Maffeo, Christopher. “Quantitative all-atom and coarse-grained molecular dynamics simulation studies of DNA.” 2015. Web. 08 Jul 2020.

Vancouver:

Maffeo C. Quantitative all-atom and coarse-grained molecular dynamics simulation studies of DNA. [Internet] [Doctoral dissertation]. University of Illinois – Urbana-Champaign; 2015. [cited 2020 Jul 08]. Available from: http://hdl.handle.net/2142/72871.

Council of Science Editors:

Maffeo C. Quantitative all-atom and coarse-grained molecular dynamics simulation studies of DNA. [Doctoral Dissertation]. University of Illinois – Urbana-Champaign; 2015. Available from: http://hdl.handle.net/2142/72871


University of Illinois – Urbana-Champaign

13. Yu, Hang. Computational investigations of protein dynamics and its implication in cellular functions: two cases on membrane sculpting by protein complexes and molecular origin of Parkinson's disease.

Degree: PhD, Biophysics & Computional Biology, 2015, University of Illinois – Urbana-Champaign

 Proteins are complex machineries dedicated to drive many functions in eukaryotic cells. In this article, two cases of protein dynamics and their implications to cellular… (more)

Subjects/Keywords: Molecular dynamics simulation; molecular dynamics (MD) simulation; Protein; Membrane; Curvature; F-BAR domain; Parkinson’s disease; α-synuclein; β-hairpin

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APA (6th Edition):

Yu, H. (2015). Computational investigations of protein dynamics and its implication in cellular functions: two cases on membrane sculpting by protein complexes and molecular origin of Parkinson's disease. (Doctoral Dissertation). University of Illinois – Urbana-Champaign. Retrieved from http://hdl.handle.net/2142/89115

Chicago Manual of Style (16th Edition):

Yu, Hang. “Computational investigations of protein dynamics and its implication in cellular functions: two cases on membrane sculpting by protein complexes and molecular origin of Parkinson's disease.” 2015. Doctoral Dissertation, University of Illinois – Urbana-Champaign. Accessed July 08, 2020. http://hdl.handle.net/2142/89115.

MLA Handbook (7th Edition):

Yu, Hang. “Computational investigations of protein dynamics and its implication in cellular functions: two cases on membrane sculpting by protein complexes and molecular origin of Parkinson's disease.” 2015. Web. 08 Jul 2020.

Vancouver:

Yu H. Computational investigations of protein dynamics and its implication in cellular functions: two cases on membrane sculpting by protein complexes and molecular origin of Parkinson's disease. [Internet] [Doctoral dissertation]. University of Illinois – Urbana-Champaign; 2015. [cited 2020 Jul 08]. Available from: http://hdl.handle.net/2142/89115.

Council of Science Editors:

Yu H. Computational investigations of protein dynamics and its implication in cellular functions: two cases on membrane sculpting by protein complexes and molecular origin of Parkinson's disease. [Doctoral Dissertation]. University of Illinois – Urbana-Champaign; 2015. Available from: http://hdl.handle.net/2142/89115


University of Illinois – Urbana-Champaign

14. Miao, Yinbin. Computer simulation of defect evolution in lanthanum doped cerium dioxide under irradiation.

Degree: MS, 5183, 2012, University of Illinois – Urbana-Champaign

 Uranium dioxide is the most common choice for fuel material in fission reactors. However, the radioactivity of uranium limits the experimental approaches on the oxide… (more)

Subjects/Keywords: Radiation Damage; Cerium Oxide; Nuclear Fuel Material; Molecular Dynamics; Molecular Statics; Dislocation Loop; Defect Migration

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APA (6th Edition):

Miao, Y. (2012). Computer simulation of defect evolution in lanthanum doped cerium dioxide under irradiation. (Thesis). University of Illinois – Urbana-Champaign. Retrieved from http://hdl.handle.net/2142/29577

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):

Miao, Yinbin. “Computer simulation of defect evolution in lanthanum doped cerium dioxide under irradiation.” 2012. Thesis, University of Illinois – Urbana-Champaign. Accessed July 08, 2020. http://hdl.handle.net/2142/29577.

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

MLA Handbook (7th Edition):

Miao, Yinbin. “Computer simulation of defect evolution in lanthanum doped cerium dioxide under irradiation.” 2012. Web. 08 Jul 2020.

Vancouver:

Miao Y. Computer simulation of defect evolution in lanthanum doped cerium dioxide under irradiation. [Internet] [Thesis]. University of Illinois – Urbana-Champaign; 2012. [cited 2020 Jul 08]. Available from: http://hdl.handle.net/2142/29577.

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

Council of Science Editors:

Miao Y. Computer simulation of defect evolution in lanthanum doped cerium dioxide under irradiation. [Thesis]. University of Illinois – Urbana-Champaign; 2012. Available from: http://hdl.handle.net/2142/29577

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


University of Illinois – Urbana-Champaign

15. Cassidy, C. Keith. Molecular modeling and simulation of bacterial chemosensory arrays.

Degree: PhD, Physics, 2017, University of Illinois – Urbana-Champaign

 The movement of an organism in response to environmental chemical cues is known as chemotaxis. Motile bacteria use chemotaxis to navigate through their environments, enabling… (more)

Subjects/Keywords: Bacterial chemotaxis; Chemosensory array; Chemoreceptor; Molecular dynamics; Molecular modeling; Multi-protein complex

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APA (6th Edition):

Cassidy, C. K. (2017). Molecular modeling and simulation of bacterial chemosensory arrays. (Doctoral Dissertation). University of Illinois – Urbana-Champaign. Retrieved from http://hdl.handle.net/2142/97650

Chicago Manual of Style (16th Edition):

Cassidy, C Keith. “Molecular modeling and simulation of bacterial chemosensory arrays.” 2017. Doctoral Dissertation, University of Illinois – Urbana-Champaign. Accessed July 08, 2020. http://hdl.handle.net/2142/97650.

MLA Handbook (7th Edition):

Cassidy, C Keith. “Molecular modeling and simulation of bacterial chemosensory arrays.” 2017. Web. 08 Jul 2020.

Vancouver:

Cassidy CK. Molecular modeling and simulation of bacterial chemosensory arrays. [Internet] [Doctoral dissertation]. University of Illinois – Urbana-Champaign; 2017. [cited 2020 Jul 08]. Available from: http://hdl.handle.net/2142/97650.

Council of Science Editors:

Cassidy CK. Molecular modeling and simulation of bacterial chemosensory arrays. [Doctoral Dissertation]. University of Illinois – Urbana-Champaign; 2017. Available from: http://hdl.handle.net/2142/97650

16. Ojha, Avinesh. Modeling of twinning as a deformation mechanism in iron (bcc) crystals and iron-based alloys.

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

 We develop an analytical expression for twin nucleation stress in bcc metals considering GPFE (generalized planar fault energy) and the dislocations bounding the twin nucleus.… (more)

Subjects/Keywords: body-centered cubic (bcc); twinning; molecular dynamics; energy landscape

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APA (6th Edition):

Ojha, A. (2013). Modeling of twinning as a deformation mechanism in iron (bcc) crystals and iron-based alloys. (Thesis). University of Illinois – Urbana-Champaign. Retrieved from http://hdl.handle.net/2142/44761

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):

Ojha, Avinesh. “Modeling of twinning as a deformation mechanism in iron (bcc) crystals and iron-based alloys.” 2013. Thesis, University of Illinois – Urbana-Champaign. Accessed July 08, 2020. http://hdl.handle.net/2142/44761.

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

MLA Handbook (7th Edition):

Ojha, Avinesh. “Modeling of twinning as a deformation mechanism in iron (bcc) crystals and iron-based alloys.” 2013. Web. 08 Jul 2020.

Vancouver:

Ojha A. Modeling of twinning as a deformation mechanism in iron (bcc) crystals and iron-based alloys. [Internet] [Thesis]. University of Illinois – Urbana-Champaign; 2013. [cited 2020 Jul 08]. Available from: http://hdl.handle.net/2142/44761.

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

Council of Science Editors:

Ojha A. Modeling of twinning as a deformation mechanism in iron (bcc) crystals and iron-based alloys. [Thesis]. University of Illinois – Urbana-Champaign; 2013. Available from: http://hdl.handle.net/2142/44761

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


University of Illinois – Urbana-Champaign

17. Mathew, Damien C. Computational studies of origins of life scenarios.

Degree: PhD, 0319, 2011, University of Illinois – Urbana-Champaign

 Understanding the origins of life on Earth is one of the most intriguing problems facing science today. In the research presented here, we apply computational… (more)

Subjects/Keywords: origins of life; evolution; molecular dynamics; genetic code

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APA (6th Edition):

Mathew, D. C. (2011). Computational studies of origins of life scenarios. (Doctoral Dissertation). University of Illinois – Urbana-Champaign. Retrieved from http://hdl.handle.net/2142/18307

Chicago Manual of Style (16th Edition):

Mathew, Damien C. “Computational studies of origins of life scenarios.” 2011. Doctoral Dissertation, University of Illinois – Urbana-Champaign. Accessed July 08, 2020. http://hdl.handle.net/2142/18307.

MLA Handbook (7th Edition):

Mathew, Damien C. “Computational studies of origins of life scenarios.” 2011. Web. 08 Jul 2020.

Vancouver:

Mathew DC. Computational studies of origins of life scenarios. [Internet] [Doctoral dissertation]. University of Illinois – Urbana-Champaign; 2011. [cited 2020 Jul 08]. Available from: http://hdl.handle.net/2142/18307.

Council of Science Editors:

Mathew DC. Computational studies of origins of life scenarios. [Doctoral Dissertation]. University of Illinois – Urbana-Champaign; 2011. Available from: http://hdl.handle.net/2142/18307


University of Illinois – Urbana-Champaign

18. Carr, Rogan C. Modeling the interface between biological and synthetic components in hybrid nanosystems.

Degree: PhD, 0240, 2012, University of Illinois – Urbana-Champaign

 The fusion of biology and nanotechnology holds amazing promise for revolutionizing medicine and personal technology. In order to take advantage of the great feats of… (more)

Subjects/Keywords: Molecular Dynamics; Bionanotechnology; Nanobiotechnology; Nanofluidics; Adsorption; Langmuir Isotherm; Nanochannel; Polyoxometalates; Immunosurfaces

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APA (6th Edition):

Carr, R. C. (2012). Modeling the interface between biological and synthetic components in hybrid nanosystems. (Doctoral Dissertation). University of Illinois – Urbana-Champaign. Retrieved from http://hdl.handle.net/2142/29413

Chicago Manual of Style (16th Edition):

Carr, Rogan C. “Modeling the interface between biological and synthetic components in hybrid nanosystems.” 2012. Doctoral Dissertation, University of Illinois – Urbana-Champaign. Accessed July 08, 2020. http://hdl.handle.net/2142/29413.

MLA Handbook (7th Edition):

Carr, Rogan C. “Modeling the interface between biological and synthetic components in hybrid nanosystems.” 2012. Web. 08 Jul 2020.

Vancouver:

Carr RC. Modeling the interface between biological and synthetic components in hybrid nanosystems. [Internet] [Doctoral dissertation]. University of Illinois – Urbana-Champaign; 2012. [cited 2020 Jul 08]. Available from: http://hdl.handle.net/2142/29413.

Council of Science Editors:

Carr RC. Modeling the interface between biological and synthetic components in hybrid nanosystems. [Doctoral Dissertation]. University of Illinois – Urbana-Champaign; 2012. Available from: http://hdl.handle.net/2142/29413


University of Illinois – Urbana-Champaign

19. Sun, Tao. Physical mechanism of a capacitance-based graphene humidity sensor.

Degree: MS, Mechanical Engineering, 2015, University of Illinois – Urbana-Champaign

 The interactions of ambient molecules with graphene-based devices, espe- cially sensors, is of great importance as such interactions could impact the operation of the device,… (more)

Subjects/Keywords: graphene; capacitance; humidity; molecular dynamics (MD); density functional theory (DFT)

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APA (6th Edition):

Sun, T. (2015). Physical mechanism of a capacitance-based graphene humidity sensor. (Thesis). University of Illinois – Urbana-Champaign. Retrieved from http://hdl.handle.net/2142/88203

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, Tao. “Physical mechanism of a capacitance-based graphene humidity sensor.” 2015. Thesis, University of Illinois – Urbana-Champaign. Accessed July 08, 2020. http://hdl.handle.net/2142/88203.

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

MLA Handbook (7th Edition):

Sun, Tao. “Physical mechanism of a capacitance-based graphene humidity sensor.” 2015. Web. 08 Jul 2020.

Vancouver:

Sun T. Physical mechanism of a capacitance-based graphene humidity sensor. [Internet] [Thesis]. University of Illinois – Urbana-Champaign; 2015. [cited 2020 Jul 08]. Available from: http://hdl.handle.net/2142/88203.

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

Council of Science Editors:

Sun T. Physical mechanism of a capacitance-based graphene humidity sensor. [Thesis]. University of Illinois – Urbana-Champaign; 2015. Available from: http://hdl.handle.net/2142/88203

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


University of Illinois – Urbana-Champaign

20. Park, Kyeong Hyun. Study of electrical and thermal transport in low-dimensional structures aiming for improving thermoelectric efficiency.

Degree: PhD, Electrical & Computer Engr, 2016, University of Illinois – Urbana-Champaign

 Thermoelectric engineering has been getting much attention anticipating its potential to serve an important role in producing clean energy out of waste heat dissipated from… (more)

Subjects/Keywords: Thermoelectric; Seebeck; Thermal conductivity; Green function; Molecular dynamics; Semiconductor; Graphene

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APA (6th Edition):

Park, K. H. (2016). Study of electrical and thermal transport in low-dimensional structures aiming for improving thermoelectric efficiency. (Doctoral Dissertation). University of Illinois – Urbana-Champaign. Retrieved from http://hdl.handle.net/2142/90893

Chicago Manual of Style (16th Edition):

Park, Kyeong Hyun. “Study of electrical and thermal transport in low-dimensional structures aiming for improving thermoelectric efficiency.” 2016. Doctoral Dissertation, University of Illinois – Urbana-Champaign. Accessed July 08, 2020. http://hdl.handle.net/2142/90893.

MLA Handbook (7th Edition):

Park, Kyeong Hyun. “Study of electrical and thermal transport in low-dimensional structures aiming for improving thermoelectric efficiency.” 2016. Web. 08 Jul 2020.

Vancouver:

Park KH. Study of electrical and thermal transport in low-dimensional structures aiming for improving thermoelectric efficiency. [Internet] [Doctoral dissertation]. University of Illinois – Urbana-Champaign; 2016. [cited 2020 Jul 08]. Available from: http://hdl.handle.net/2142/90893.

Council of Science Editors:

Park KH. Study of electrical and thermal transport in low-dimensional structures aiming for improving thermoelectric efficiency. [Doctoral Dissertation]. University of Illinois – Urbana-Champaign; 2016. Available from: http://hdl.handle.net/2142/90893

21. Lai, Jonathan. Processes involved in protein translation.

Degree: PhD, Chemistry, 2017, University of Illinois – Urbana-Champaign

 Protein translation—the process of converting genetic information into protein chains—is one of the oldest biological processes on planet Earth. Because of its age, all organisms,… (more)

Subjects/Keywords: Molecular dynamics; Translation; Proteins

…105 vii List of Tables 1.1 1.2 Summary of all-atom molecular dynamics simulations… …the ribosome 1.1 Abstract Using all-atom explicit solvent molecular dynamics simulations… …structural and energetic resolution. Molecular dynamics (MD) simulations, both all-atom… …molecular dynamics simulation of the five-way junction (5WJ: 3 h3, h4, h16-h18)… …section. 1.3.2 All-atom molecular dynamics simulations Proteins and nucleic acids were… 

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APA (6th Edition):

Lai, J. (2017). Processes involved in protein translation. (Doctoral Dissertation). University of Illinois – Urbana-Champaign. Retrieved from http://hdl.handle.net/2142/98282

Chicago Manual of Style (16th Edition):

Lai, Jonathan. “Processes involved in protein translation.” 2017. Doctoral Dissertation, University of Illinois – Urbana-Champaign. Accessed July 08, 2020. http://hdl.handle.net/2142/98282.

MLA Handbook (7th Edition):

Lai, Jonathan. “Processes involved in protein translation.” 2017. Web. 08 Jul 2020.

Vancouver:

Lai J. Processes involved in protein translation. [Internet] [Doctoral dissertation]. University of Illinois – Urbana-Champaign; 2017. [cited 2020 Jul 08]. Available from: http://hdl.handle.net/2142/98282.

Council of Science Editors:

Lai J. Processes involved in protein translation. [Doctoral Dissertation]. University of Illinois – Urbana-Champaign; 2017. Available from: http://hdl.handle.net/2142/98282


University of Illinois – Urbana-Champaign

22. Wen, Po-Chao. Mechanistic studies of ABC transporters.

Degree: PhD, 0319, 2013, University of Illinois – Urbana-Champaign

 ATP-binding cassette (ABC) transporters are a superfamily of primary membrane transporters that are abundant yet highly diverse in structures and functions. These proteins power the… (more)

Subjects/Keywords: ATP-binding cassette (ABC) transporters transporters; Molecular dynamics; Membrane transport; Protein dynamics; Conformational change; Maltose transporter; P-Glycoprotein

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APA (6th Edition):

Wen, P. (2013). Mechanistic studies of ABC transporters. (Doctoral Dissertation). University of Illinois – Urbana-Champaign. Retrieved from http://hdl.handle.net/2142/45599

Chicago Manual of Style (16th Edition):

Wen, Po-Chao. “Mechanistic studies of ABC transporters.” 2013. Doctoral Dissertation, University of Illinois – Urbana-Champaign. Accessed July 08, 2020. http://hdl.handle.net/2142/45599.

MLA Handbook (7th Edition):

Wen, Po-Chao. “Mechanistic studies of ABC transporters.” 2013. Web. 08 Jul 2020.

Vancouver:

Wen P. Mechanistic studies of ABC transporters. [Internet] [Doctoral dissertation]. University of Illinois – Urbana-Champaign; 2013. [cited 2020 Jul 08]. Available from: http://hdl.handle.net/2142/45599.

Council of Science Editors:

Wen P. Mechanistic studies of ABC transporters. [Doctoral Dissertation]. University of Illinois – Urbana-Champaign; 2013. Available from: http://hdl.handle.net/2142/45599


University of Illinois – Urbana-Champaign

23. Ma, Wen. Theoretical and computational investigations into structure-function relationships of biomolecular machines at atomic resolution.

Degree: PhD, Biophysics & Computnl Biology, 2017, University of Illinois – Urbana-Champaign

Molecular machines play vital roles in many cellular processes, including DNA replication and repair, gene expression, protein degradation, protein secretion and maintenance of pH homeostasis.… (more)

Subjects/Keywords: Molecular motor; Free energy landscape; Rate calculations; Transition pathway; Molecular dynamics; Multiscale modeling; Enhanced sampling methods; Helicase; ATPase

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APA (6th Edition):

Ma, W. (2017). Theoretical and computational investigations into structure-function relationships of biomolecular machines at atomic resolution. (Doctoral Dissertation). University of Illinois – Urbana-Champaign. Retrieved from http://hdl.handle.net/2142/98292

Chicago Manual of Style (16th Edition):

Ma, Wen. “Theoretical and computational investigations into structure-function relationships of biomolecular machines at atomic resolution.” 2017. Doctoral Dissertation, University of Illinois – Urbana-Champaign. Accessed July 08, 2020. http://hdl.handle.net/2142/98292.

MLA Handbook (7th Edition):

Ma, Wen. “Theoretical and computational investigations into structure-function relationships of biomolecular machines at atomic resolution.” 2017. Web. 08 Jul 2020.

Vancouver:

Ma W. Theoretical and computational investigations into structure-function relationships of biomolecular machines at atomic resolution. [Internet] [Doctoral dissertation]. University of Illinois – Urbana-Champaign; 2017. [cited 2020 Jul 08]. Available from: http://hdl.handle.net/2142/98292.

Council of Science Editors:

Ma W. Theoretical and computational investigations into structure-function relationships of biomolecular machines at atomic resolution. [Doctoral Dissertation]. University of Illinois – Urbana-Champaign; 2017. Available from: http://hdl.handle.net/2142/98292


University of Illinois – Urbana-Champaign

24. Sangid, Michael D. Fatigue modeling of U720 – A multi-scale approach in understanding grain boundary effects on crack initiation.

Degree: PhD, 0133, 2011, University of Illinois – Urbana-Champaign

 Excessive scatter is observed in the fatigue response of a nickel-based superalloy, Udimet 720. This scatter can be partly attributed to the variability in the… (more)

Subjects/Keywords: Fatigue; Grain Boundaries; Persistent Slip Bands; Molecular Dynamics; Fatigue Scatter; Crack Initiation

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APA (6th Edition):

Sangid, M. D. (2011). Fatigue modeling of U720 – A multi-scale approach in understanding grain boundary effects on crack initiation. (Doctoral Dissertation). University of Illinois – Urbana-Champaign. Retrieved from http://hdl.handle.net/2142/18537

Chicago Manual of Style (16th Edition):

Sangid, Michael D. “Fatigue modeling of U720 – A multi-scale approach in understanding grain boundary effects on crack initiation.” 2011. Doctoral Dissertation, University of Illinois – Urbana-Champaign. Accessed July 08, 2020. http://hdl.handle.net/2142/18537.

MLA Handbook (7th Edition):

Sangid, Michael D. “Fatigue modeling of U720 – A multi-scale approach in understanding grain boundary effects on crack initiation.” 2011. Web. 08 Jul 2020.

Vancouver:

Sangid MD. Fatigue modeling of U720 – A multi-scale approach in understanding grain boundary effects on crack initiation. [Internet] [Doctoral dissertation]. University of Illinois – Urbana-Champaign; 2011. [cited 2020 Jul 08]. Available from: http://hdl.handle.net/2142/18537.

Council of Science Editors:

Sangid MD. Fatigue modeling of U720 – A multi-scale approach in understanding grain boundary effects on crack initiation. [Doctoral Dissertation]. University of Illinois – Urbana-Champaign; 2011. Available from: http://hdl.handle.net/2142/18537


University of Illinois – Urbana-Champaign

25. Harpale, Abhilash. Scale-bridging molecular dynamics simulations of plasma-surface interactions.

Degree: PhD, Aerospace Engineering, 2018, University of Illinois – Urbana-Champaign

 Plasma processing of materials plays a vital part in electronic, aerospace, automobile, metal manufacturing and biomedical industries. Plasma-surface interactions can be divided into two categories:… (more)

Subjects/Keywords: graphene; plasma; molecular dynamics; atomic scale simulations; surfaces; thermal protection system; NASA; spacecraft

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APA (6th Edition):

Harpale, A. (2018). Scale-bridging molecular dynamics simulations of plasma-surface interactions. (Doctoral Dissertation). University of Illinois – Urbana-Champaign. Retrieved from http://hdl.handle.net/2142/100909

Chicago Manual of Style (16th Edition):

Harpale, Abhilash. “Scale-bridging molecular dynamics simulations of plasma-surface interactions.” 2018. Doctoral Dissertation, University of Illinois – Urbana-Champaign. Accessed July 08, 2020. http://hdl.handle.net/2142/100909.

MLA Handbook (7th Edition):

Harpale, Abhilash. “Scale-bridging molecular dynamics simulations of plasma-surface interactions.” 2018. Web. 08 Jul 2020.

Vancouver:

Harpale A. Scale-bridging molecular dynamics simulations of plasma-surface interactions. [Internet] [Doctoral dissertation]. University of Illinois – Urbana-Champaign; 2018. [cited 2020 Jul 08]. Available from: http://hdl.handle.net/2142/100909.

Council of Science Editors:

Harpale A. Scale-bridging molecular dynamics simulations of plasma-surface interactions. [Doctoral Dissertation]. University of Illinois – Urbana-Champaign; 2018. Available from: http://hdl.handle.net/2142/100909


University of Illinois – Urbana-Champaign

26. Whitmer, Jonathan K. Dynamics and assembly of colloidal particles.

Degree: PhD, 0240, 2012, University of Illinois – Urbana-Champaign

 In this dissertation, I present research into the dynamics and assembly of colloidal particles. This involves investigations into single particle dynamics, collective dynamics of assembled… (more)

Subjects/Keywords: Molecular Dynamics; Monte Carlo; Janus Particles; Multiparticle Collision Dynamics (MPC); Stochastic Rotation Dynamics (SRD); hydrodynamics; clusters; depletion potential; Gels; directed assembly; self-assembly; flow control

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APA (6th Edition):

Whitmer, J. K. (2012). Dynamics and assembly of colloidal particles. (Doctoral Dissertation). University of Illinois – Urbana-Champaign. Retrieved from http://hdl.handle.net/2142/29467

Chicago Manual of Style (16th Edition):

Whitmer, Jonathan K. “Dynamics and assembly of colloidal particles.” 2012. Doctoral Dissertation, University of Illinois – Urbana-Champaign. Accessed July 08, 2020. http://hdl.handle.net/2142/29467.

MLA Handbook (7th Edition):

Whitmer, Jonathan K. “Dynamics and assembly of colloidal particles.” 2012. Web. 08 Jul 2020.

Vancouver:

Whitmer JK. Dynamics and assembly of colloidal particles. [Internet] [Doctoral dissertation]. University of Illinois – Urbana-Champaign; 2012. [cited 2020 Jul 08]. Available from: http://hdl.handle.net/2142/29467.

Council of Science Editors:

Whitmer JK. Dynamics and assembly of colloidal particles. [Doctoral Dissertation]. University of Illinois – Urbana-Champaign; 2012. Available from: http://hdl.handle.net/2142/29467


University of Illinois – Urbana-Champaign

27. Jaiswal, Abhishek. Study of atomic scale dynamics of glass-forming metallic liquids using neutron scattering experiments and molecular dynamics simulations.

Degree: PhD, Nuclear, Plasma, Radiolgc Engr, 2016, University of Illinois – Urbana-Champaign

 Bulk metallic glasses are not the archetypal glass-former due to their large propensity for crystallization. They are characterized by complex multi-body interactions; yet have a… (more)

Subjects/Keywords: bulk metallic glass; quasi elastic neutron scattering; molecular dynamics; simulations; metallic liquids; dynamics; Arrhenius crossover; dynamic heterogeneity; collective dynamics; unsupervised learning; inelastic neutron scattering

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APA (6th Edition):

Jaiswal, A. (2016). Study of atomic scale dynamics of glass-forming metallic liquids using neutron scattering experiments and molecular dynamics simulations. (Doctoral Dissertation). University of Illinois – Urbana-Champaign. Retrieved from http://hdl.handle.net/2142/95584

Chicago Manual of Style (16th Edition):

Jaiswal, Abhishek. “Study of atomic scale dynamics of glass-forming metallic liquids using neutron scattering experiments and molecular dynamics simulations.” 2016. Doctoral Dissertation, University of Illinois – Urbana-Champaign. Accessed July 08, 2020. http://hdl.handle.net/2142/95584.

MLA Handbook (7th Edition):

Jaiswal, Abhishek. “Study of atomic scale dynamics of glass-forming metallic liquids using neutron scattering experiments and molecular dynamics simulations.” 2016. Web. 08 Jul 2020.

Vancouver:

Jaiswal A. Study of atomic scale dynamics of glass-forming metallic liquids using neutron scattering experiments and molecular dynamics simulations. [Internet] [Doctoral dissertation]. University of Illinois – Urbana-Champaign; 2016. [cited 2020 Jul 08]. Available from: http://hdl.handle.net/2142/95584.

Council of Science Editors:

Jaiswal A. Study of atomic scale dynamics of glass-forming metallic liquids using neutron scattering experiments and molecular dynamics simulations. [Doctoral Dissertation]. University of Illinois – Urbana-Champaign; 2016. Available from: http://hdl.handle.net/2142/95584


University of Illinois – Urbana-Champaign

28. Martin, Erik W. The Binding Pockets of QA and QB in the Photosynthetic Reaction Center of Rba. sphaeroides Probed by Pulsed EPR.

Degree: PhD, 0319, 2011, University of Illinois – Urbana-Champaign

 The bacteria Rhodobacter sphaeroides uses photosynthetic reaction centers to convert light into chemical energy. Light absorption by the reaction center results in electron transfer through… (more)

Subjects/Keywords: Reaction Center; Electron paramagnetic resonance (EPR); Electron spin echo envelope modulation (ESEEM); HYSCORE; Quinone; Rhodobacter sphaeroides; redox; Own n-layered integrated molecular orbital and molecular mechanics (ONIOM); Molecular Dynamics (MD)

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APA (6th Edition):

Martin, E. W. (2011). The Binding Pockets of QA and QB in the Photosynthetic Reaction Center of Rba. sphaeroides Probed by Pulsed EPR. (Doctoral Dissertation). University of Illinois – Urbana-Champaign. Retrieved from http://hdl.handle.net/2142/24256

Chicago Manual of Style (16th Edition):

Martin, Erik W. “The Binding Pockets of QA and QB in the Photosynthetic Reaction Center of Rba. sphaeroides Probed by Pulsed EPR.” 2011. Doctoral Dissertation, University of Illinois – Urbana-Champaign. Accessed July 08, 2020. http://hdl.handle.net/2142/24256.

MLA Handbook (7th Edition):

Martin, Erik W. “The Binding Pockets of QA and QB in the Photosynthetic Reaction Center of Rba. sphaeroides Probed by Pulsed EPR.” 2011. Web. 08 Jul 2020.

Vancouver:

Martin EW. The Binding Pockets of QA and QB in the Photosynthetic Reaction Center of Rba. sphaeroides Probed by Pulsed EPR. [Internet] [Doctoral dissertation]. University of Illinois – Urbana-Champaign; 2011. [cited 2020 Jul 08]. Available from: http://hdl.handle.net/2142/24256.

Council of Science Editors:

Martin EW. The Binding Pockets of QA and QB in the Photosynthetic Reaction Center of Rba. sphaeroides Probed by Pulsed EPR. [Doctoral Dissertation]. University of Illinois – Urbana-Champaign; 2011. Available from: http://hdl.handle.net/2142/24256

29. Walter, Nathan Peller. Understanding long timescale phenomena in atomic systems from accelerated molecular simulation methods.

Degree: PhD, Nuclear, Plasma, Radiolgc Engr, 2019, University of Illinois – Urbana-Champaign

 Conventional molecular dynamics simulations have been proven instrumental to the understanding of material behaviors. However, the temporal constraints of molecular dynamics simulations have limited attempts… (more)

Subjects/Keywords: Metadynamics; Ascent Dynamics; Advanced Sampling; Molecular Dynamics; Energy Landscape

…proteins were the focus of the molecular dynamics study provided in [6]. The test… …proteins were the focus of the molecular dynamics study provided in [6]. The test… …orientational order parameter PEL Potential Energy Landscape MD Molecular Dynamics MC Monte… …traditionally studied with molecular dynamics (MD) and Monte Carlo (MC) methods… …information respectively, as partially shown in Figure 1.1. While molecular dynamics timescales are… 

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APA (6th Edition):

Walter, N. P. (2019). Understanding long timescale phenomena in atomic systems from accelerated molecular simulation methods. (Doctoral Dissertation). University of Illinois – Urbana-Champaign. Retrieved from http://hdl.handle.net/2142/106166

Chicago Manual of Style (16th Edition):

Walter, Nathan Peller. “Understanding long timescale phenomena in atomic systems from accelerated molecular simulation methods.” 2019. Doctoral Dissertation, University of Illinois – Urbana-Champaign. Accessed July 08, 2020. http://hdl.handle.net/2142/106166.

MLA Handbook (7th Edition):

Walter, Nathan Peller. “Understanding long timescale phenomena in atomic systems from accelerated molecular simulation methods.” 2019. Web. 08 Jul 2020.

Vancouver:

Walter NP. Understanding long timescale phenomena in atomic systems from accelerated molecular simulation methods. [Internet] [Doctoral dissertation]. University of Illinois – Urbana-Champaign; 2019. [cited 2020 Jul 08]. Available from: http://hdl.handle.net/2142/106166.

Council of Science Editors:

Walter NP. Understanding long timescale phenomena in atomic systems from accelerated molecular simulation methods. [Doctoral Dissertation]. University of Illinois – Urbana-Champaign; 2019. Available from: http://hdl.handle.net/2142/106166

30. Zhai, Yanqin. Molecular dynamics studies of surface dynamics and dynamic heterogeneity of supercooled metallic liquid.

Degree: MS, Nuclear, Plasma, Radiolgc Engr, 2019, University of Illinois – Urbana-Champaign

 Glasses play a significant roll in both modern manufacturing industry and scientific researches. However, the physical nature of glass, especially the unique issues on its… (more)

Subjects/Keywords: Molecular Dynamics; Dynamic Heterogeneity; Metallic Liquid

…MD Molecular Dynamics. RDF Radial Distribution Function. RFOT Random First-Order… …Transition. SNR Signal to Noise Ratio. VMD Visual Molecular Dynamics. ix List of Symbols cp… …Three-dimensional visualizations were conducted using Visual Molecular Dynamics (VMD)… …LAMMPS Large-scale Atomic/Molecular Massively Parallel Simulator. MCT Mode-Coupling Theory… …and the only differences between liquids and gases are the packing ratio and the dynamics… 

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

APA (6th Edition):

Zhai, Y. (2019). Molecular dynamics studies of surface dynamics and dynamic heterogeneity of supercooled metallic liquid. (Thesis). University of Illinois – Urbana-Champaign. Retrieved from http://hdl.handle.net/2142/105586

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):

Zhai, Yanqin. “Molecular dynamics studies of surface dynamics and dynamic heterogeneity of supercooled metallic liquid.” 2019. Thesis, University of Illinois – Urbana-Champaign. Accessed July 08, 2020. http://hdl.handle.net/2142/105586.

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

MLA Handbook (7th Edition):

Zhai, Yanqin. “Molecular dynamics studies of surface dynamics and dynamic heterogeneity of supercooled metallic liquid.” 2019. Web. 08 Jul 2020.

Vancouver:

Zhai Y. Molecular dynamics studies of surface dynamics and dynamic heterogeneity of supercooled metallic liquid. [Internet] [Thesis]. University of Illinois – Urbana-Champaign; 2019. [cited 2020 Jul 08]. Available from: http://hdl.handle.net/2142/105586.

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

Council of Science Editors:

Zhai Y. Molecular dynamics studies of surface dynamics and dynamic heterogeneity of supercooled metallic liquid. [Thesis]. University of Illinois – Urbana-Champaign; 2019. Available from: http://hdl.handle.net/2142/105586

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

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