Multiscale modeling of viscoelastic properties of polymer nanocomposites
Oleg Borodin , Dmitry Bedrov , Grant D. Smith , John Nairn
Journal of Polymer Science Part B 43 ( 8) 1005 -1013
40
2005
Reactions of Singly-Reduced Ethylene Carbonate in Lithium Battery Electrolytes: A Molecular Dynamics Simulation Study Using the ReaxFF
Dmitry Bedrov , Grant D. Smith , Adri C. T. van Duin
Journal of Physical Chemistry A 116 ( 11) 2978 -2985
149
2012
Anomalous pressure dependence of the structure factor in 1,4-polybutadiene melts: a molecular dynamics simulation study.
Dmitry Bedrov , Grant D. Smith , Wolfgang Paul
Physical Review E 70 ( 1) 011804
11
2004
Flow-Tube Investigations of Hypergolic Reactions of a Dicyanamide Ionic Liquid Via Tunable Vacuum Ultraviolet Aerosol Mass Spectrometry
Steven D. Chambreau , Christine J. Koh , Denisia M. Popolan-Vaida , Christopher J. Gallegos
The Journal of Physical Chemistry A 120 ( 41) 8011 -8023
11
2016
Tailoring graphene-based electrodes from semiconducting to metallic to increase the energy density in supercapacitors.
Jenel Vatamanu , Xiaojuan Ni , Feng Liu , Dmitry Bedrov
Nanotechnology 26 ( 46) 464001 -464001
41
2015
Charge storage at the nanoscale: understanding the trends from the molecular scale perspective
Marco Olguin , Gleb Yushin , Dmitry Bedrov , Jenel Vatamanu
Journal of Materials Chemistry 5 ( 40) 21049 -21076
54
2017
A molecular dynamics simulation study of C60 fullerenes inside a dimyristoylphosphatidylcholine lipid bilayer.
Liwei Li , Hemali Davande , Dmitry Bedrov , Grant D. Smith
Journal of Physical Chemistry B 111 ( 16) 4067 -4072
85
2007
A Quantum-Chemistry-Based Potential for a Poly(ester urethane)
Oleksiy Byutner , Oleg Borodin , Chakravarthy Ayyagari , Thomas D. Sewell
Journal of Physical Chemistry A 107 ( 38) 7552 -7560
19
2003
A Quantum Chemistry Based Force Field for Perfluoroalkanes and Poly(tetrafluoroethylene)
Oleg Borodin , Grant D. Smith , Dmitry Bedrov
Journal of Physical Chemistry B 106 ( 38) 9912 -9922
68
2002
Roles of enthalpy, entropy, and hydrogen bonding in the lower critical solution temperature behavior of poly(ethylene oxide)/water solutions
Grant D. Smith , Dmitry Bedrov
Journal of Physical Chemistry B 107 ( 14) 3095 -3097
61
2003
The 1-ethyl-3-methylimidazolium bis(trifluoro-methylsulfonyl)-imide ionic liquid nanodroplets on solid surfaces and in electric field: A molecular dynamics simulation study.
Dengpan Dong , Jenel P. Vatamanu , Xiaoyu Wei , Dmitry Bedrov
Journal of Chemical Physics 148 ( 19) 193833
6
2018
Diffusion in aqueous solutions of 1,2-dimethoxyethane: Comparison of molecular dynamics simulations and quasielastic neutron scattering
Frans Trouw , Dmitry Bedrov , Oleg Borodin , Grant D. Smith
Chemical Physics 261 ( 1) 137 -148
5
2000
Supramolecular Self-Assembly of Methylated Rotaxanes for Solid Polymer Electrolyte Application
Laura Imholt , Dengpan Dong , Dmitry Bedrov , Isidora Cekic-Laskovic
ACS Macro Letters 7 ( 7) 881 -885
21
2018
Polarizable and nonpolarizable potentials for K+ cation in water
Oleg Borodin , Richard L. Bell , Yi Li , Dmitry Bedrov
Chemical Physics Letters 336 ( 3) 292 -302
21
2001
Thermal conductivity of liquid / octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine HMX from molecular dynamics simulations
Dmitry Bedrov , Grant D Smith , Thomas D Sewell
Chemical Physics Letters 324 ( 1) 64 -68
87
2000
Role of cationic groups on structural and dynamical correlations in hydrated quaternary ammonium-functionalized poly(p-phenylene oxide)-based anion exchange membranes.
Dengpan Dong , Xiaoyu Wei , Justin B. Hooper , Hongchao Pan
Physical Chemistry Chemical Physics 20 ( 29) 19350 -19362
8
2018
Shock-induced transformations in crystalline RDX: A uniaxial constant-stress Hugoniostat molecular dynamics simulation study
Dmitry Bedrov , Justin B. Hooper , Grant D. Smith , Thomas D. Sewell
Journal of Chemical Physics 131 ( 3) 034712 -034712
40
2009
The role of local conformations in the stretching of a poly(ethylene oxide) chain in solution
Dmitry Bedrov , Grant D. Smith
The Journal of Chemical Physics 118 ( 14) 6656 -6663
10
2003
On the Influence of Surface Topography on the Electric Double Layer Structure and Differential Capacitance of Graphite/Ionic Liquid Interfaces
Jenel Vatamanu , Liulei Cao , Oleg Borodin , Dmitry Bedrov
Journal of Physical Chemistry Letters 2 ( 17) 2267 -2272
180
2011
Nanopatterning of Electrode Surfaces as a Potential Route to Improve the Energy Density of Electric Double-Layer Capacitors: Insight from Molecular Simulations.
Lidan Xing , Jenel Vatamanu , Grant D. Smith , Dmitry Bedrov
Journal of Physical Chemistry Letters 3 ( 9) 1124 -1129
65
2012