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 | 552 | 2013 |
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 | 539 | 2019 |
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 | 346 | 2002 |
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 | 341 | 2003 |
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 | 321 | 2020 |
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 | 287 | 2003 |
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 | 226 | 2008 |
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 | 199 | 2011 |
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 | 187 | 2012 |
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 | 178 | 2012 |
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 | 175 | 2012 |
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 | 171 | 2010 |
Dispersing nanoparticles in a polymer matrix: are long, dense polymer tethers really necessary? GD Smith, D Bedrov Langmuir 25 (19), 11239-11243, 2009 | 170 | 2009 |
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 | 158 | 2000 |
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 | 154 | 2012 |
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 | 148 | 2001 |
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 | 141 | 2013 |
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 | 138 | 2013 |
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 | 136 | 2000 |
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 | 135 | 2009 |