Dmitry Bedrov

Overview

Best Publications

• Molecular Dynamics Simulations of Ionic Liquids and Electrolytes Using Polarizable Force Fields.

  Dmitry Bedrov;Jean-Philip Piquemal;Oleg Borodin;Alexander D. MacKerell

  594
  Citations

• Chiral heliconical ground state of nanoscale pitch in a nematic liquid crystal of achiral molecular dimers

  Dong Chen;Jan H. Porada;Justin B. Hooper;Justin B. Hooper;Arthur Klittnick

  532
  Citations

• First-principles experimental demonstration of ferroelectricity in a thermotropic nematic liquid crystal: Polar domains and striking electro-optics.

  Xi Chen;Eva Korblova;Dengpan Dong;Dengpan Dong;Xiaoyu Wei;Xiaoyu Wei

  382
  Citations

• A molecular dynamics simulation study of the viscoelastic properties of polymer nanocomposites

  Grant D. Smith;Dmitry Bedrov;Liwei Li;Oleksiy Byutner

  346
  Citations

• A molecular dynamics simulation study of nanoparticle interactions in a model polymer-nanoparticle composite

  James S. Smith;Dmitry Bedrov;Grant D. Smith

  341
  Citations

• A molecular dynamics simulation study of elastic properties of HMX

  Thomas D. Sewell;Ralph Menikoff;Dmitry Bedrov;Grant D. Smith

  291
  Citations

• Passive Transport of C60 Fullerenes through a Lipid Membrane: A Molecular Dynamics Simulation Study

  Dmitry Bedrov;Grant D. Smith;Hemali Davande;Liwei Li

  224
  Citations

• Molecular Dynamics Simulation Study of the Interfacial Structure and Differential Capacitance of Alkylimidazolium Bis(trifluoromethanesulfonyl)imide [Cnmim][TFSI] Ionic Liquids at Graphite Electrodes

  Jenel Vatamanu;Oleg Borodin;Dmitry Bedrov;Grant D. Smith

  218
  Citations

• 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

  191
  Citations

• 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

  186
  Citations

• Li+ Solvation and Transport Properties in Ionic Liquid/Lithium Salt Mixtures: A Molecular Dynamics Simulation Study

  Zhe Li;Grant D. Smith;Dmitry Bedrov

  181
  Citations

• Influence of polarization on structural, thermodynamic, and dynamic properties of ionic liquids obtained from molecular dynamics simulations.

  Dmitry Bedrov;Oleg Borodin;Zhe Li;Grant D. Smith

  172
  Citations

• Dispersing nanoparticles in a polymer matrix: are long, dense polymer tethers really necessary?

  Grant D. Smith;Dmitry Bedrov

  168
  Citations

• Expanding the Low-Temperature and High-Voltage Limits of Aqueous Lithium-ion Battery

  Unknown

  166
  Citations

• Molecular dynamics simulation study of hydrogen bonding in aqueous poly(ethylene oxide) solutions.

  Grant D. Smith;Dmitry Bedrov;Oleg Borodin

  163
  Citations

• Molecular dynamics simulations of HMX crystal polymorphs using a flexible molecule force field

  Dmitry Bedrov;Chakravarthy Ayyagari;Grant D. Smith;Thomas D. Sewell

  160
  Citations

• Electrode/Electrolyte Interface in Sulfolane-Based Electrolytes for Li Ion Batteries: A Molecular Dynamics Simulation Study

  Lidan Xing;Lidan Xing;Jenel Vatamanu;Oleg Borodin;Grant D. Smith

  157
  Citations

• On the Atomistic Nature of Capacitance Enhancement Generated by Ionic Liquid Electrolyte Confined in Subnanometer Pores

  Lidan Xing;Lidan Xing;Jenel Vatamanu;Oleg Borodin;Dmitry Bedrov

  143
  Citations

• Why Do Sulfone-Based Electrolytes Show Stability at High Voltages? Insight from Density Functional Theory

  Yating Wang;Lidan Xing;Weishan Li;Dmitry Bedrov

  139
  Citations

• A molecular dynamics simulation study of the electric double layer and capacitance of [BMIM][PF6] and [BMIM][BF4] room temperature ionic liquids near charged surfaces

  Zongzhi Hu;Jenel Vatamanu;Oleg Borodin;Dmitry Bedrov

  135
  Citations

• Temperature-dependent shear viscosity coefficient of octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine (HMX): A molecular dynamics simulation study

  Dmitry Bedrov;Grant D. Smith;Thomas D. Sewell

  131
  Citations

• A molecular-dynamics simulation study of solvent-induced repulsion between C60 fullerenes in water.

  Liwei Li;Dmitry Bedrov;Grant D. Smith

  130
  Citations

• Increasing Energy Storage in Electrochemical Capacitors with Ionic Liquid Electrolytes and Nanostructured Carbon Electrodes

  Jenel Vatamanu;Zongzhi Hu;Dmitry Bedrov;Carlos Perez

  129
  Citations