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Dmitry Bedrov
Dmitry Bedrov
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Chiral heliconical ground state of nanoscale pitch in a nematic liquid crystal of achiral molecular dimers
D Chen, JH Porada, JB Hooper, A Klittnick, Y Shen, MR Tuchband, ...
Proceedings of the National Academy of Sciences 110 (40), 15931-15936, 2013
5522013
Molecular dynamics simulations of ionic liquids and electrolytes using polarizable force fields
D Bedrov, JP Piquemal, O Borodin, AD MacKerell Jr, B Roux, ...
Chemical reviews 119 (13), 7940-7995, 2019
5392019
A molecular dynamics simulation study of the viscoelastic properties of polymer nanocomposites
GD Smith, D Bedrov, L Li, O Byutner
The Journal of chemical physics 117 (20), 9478-9489, 2002
3462002
A molecular dynamics simulation study of nanoparticle interactions in a model polymer-nanoparticle composite
JS Smith, D Bedrov, GD Smith
Composites science and technology 63 (11), 1599-1605, 2003
3412003
First-principles experimental demonstration of ferroelectricity in a thermotropic nematic liquid crystal: Polar domains and striking electro-optics
X Chen, E Korblova, D Dong, X Wei, R Shao, L Radzihovsky, MA Glaser, ...
Proceedings of the National Academy of Sciences 117 (25), 14021-14031, 2020
3212020
A molecular dynamics simulation study of elastic properties of HMX
TD Sewell, R Menikoff, D Bedrov, GD Smith
The Journal of chemical physics 119 (14), 7417-7426, 2003
2872003
Passive transport of C60 fullerenes through a lipid membrane: a molecular dynamics simulation study
D Bedrov, GD Smith, H Davande, L Li
The Journal of Physical Chemistry B 112 (7), 2078-2084, 2008
2262008
On the influence of surface topography on the electric double layer structure and differential capacitance of graphite/ionic liquid interfaces
J Vatamanu, L Cao, O Borodin, D Bedrov, GD Smith
The Journal of Physical Chemistry Letters 2 (17), 2267-2272, 2011
1992011
Molecular Dynamics Simulation Study of the Interfacial Structure and Differential Capacitance of Alkylimidazolium Bis(trifluoromethanesulfonyl)imide [Cnmim][TFSI …
J Vatamanu, O Borodin, D Bedrov, GD Smith
The Journal of Physical Chemistry C 116 (14), 7940-7951, 2012
1872012
Reactions of singly-reduced ethylene carbonate in lithium battery electrolytes: a molecular dynamics simulation study using the ReaxFF
D Bedrov, GD Smith, ACT van Duin
The Journal of Physical Chemistry A 116 (11), 2978-2985, 2012
1782012
Li+ Solvation and Transport Properties in Ionic Liquid/Lithium Salt Mixtures: A Molecular Dynamics Simulation Study
Z Li, GD Smith, D Bedrov
The Journal of Physical Chemistry B 116 (42), 12801-12809, 2012
1752012
Influence of polarization on structural, thermodynamic, and dynamic properties of ionic liquids obtained from molecular dynamics simulations
D Bedrov, O Borodin, Z Li, GD Smith
The Journal of Physical Chemistry B 114 (15), 4984-4997, 2010
1712010
Dispersing nanoparticles in a polymer matrix: are long, dense polymer tethers really necessary?
GD Smith, D Bedrov
Langmuir 25 (19), 11239-11243, 2009
1702009
Molecular dynamics simulation study of hydrogen bonding in aqueous poly (ethylene oxide) solutions
GD Smith, D Bedrov, O Borodin
Physical Review Letters 85 (26), 5583, 2000
1582000
Electrode/electrolyte interface in sulfolane-based electrolytes for Li ion batteries: a molecular dynamics simulation study
L Xing, J Vatamanu, O Borodin, GD Smith, D Bedrov
The Journal of Physical Chemistry C 116 (45), 23871-23881, 2012
1542012
Molecular dynamics simulations of HMX crystal polymorphs using a flexible molecule force field
D Bedrov, C Ayyagari, GD Smith, TD Sewell, R Menikoff, JM Zaug
Journal of Computer-Aided Materials Design 8, 77-85, 2001
1482001
Increasing energy storage in electrochemical capacitors with ionic liquid electrolytes and nanostructured carbon electrodes
J Vatamanu, Z Hu, D Bedrov, C Perez, Y Gogotsi
The Journal of Physical Chemistry Letters 4 (17), 2829-2837, 2013
1412013
On the atomistic nature of capacitance enhancement generated by ionic liquid electrolyte confined in subnanometer pores
L Xing, J Vatamanu, O Borodin, D Bedrov
The journal of physical chemistry letters 4 (1), 132-140, 2013
1382013
Temperature-dependent shear viscosity coefficient of octahydro-1, 3, 5, 7-tetranitro-1, 3, 5, 7-tetrazocine (HMX): A molecular dynamics simulation study
D Bedrov, GD Smith, TD Sewell
The Journal of chemical physics 112 (16), 7203-7208, 2000
1362000
A molecular dynamics simulation study of crystalline 1, 3, 5-triamino-2, 4, 6-trinitrobenzene as a function of pressure and temperature
D Bedrov, O Borodin, GD Smith, TD Sewell, DM Dattelbaum, LL Stevens
The Journal of chemical physics 131 (22), 2009
1352009
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