Dmitry Bedrov

发表

Force-field coefficient optimization of coarse-grained molecular dynamics models with a small computational budget

Robert M. Kirby, Akil Narayan, M. Razi, 2020 .

Fast predictive models based on multi-fidelity sampling of properties in molecular dynamics simulations

Robert M. Kirby, Akil Narayan, Mani Razi, 2018 .

A revised quantum chemistry‐based potential for poly(ethylene oxide) and its oligomers in aqueous solution

Oleg Borodin, Grant D. Smith, Dmitry Bedrov, 2002, J. Comput. Chem..

Optimal allocation of computational resources based on Gaussian process: Application to molecular dynamics simulations

Dmitry Bedrov, Robert M. Kirby, John Chilleri, 2021 .

Water-induced interactions between carbon nanoparticles.

Dmitry Bedrov, D. Bedrov, Grant D. Smith, 2006, The journal of physical chemistry. B.

Using the material point method to model chemical/mechanical coupling in the deformation of a silicon anode

Martin Berzins, James E. Guilkey, Robert M. Kirby, 2017 .

A molecular dynamics simulation study of C60 fullerenes inside a dimyristoylphosphatidylcholine lipid bilayer.

Dmitry Bedrov, D. Bedrov, Grant D. Smith, 2007, The journal of physical chemistry. B.

CALIBRATION AND RANKING OF COARSE-GRAINED MODELS IN MOLECULAR SIMULATIONS USING BAYESIAN FORMALISM

Hadi Meidani, Robert M. Kirby, Dmitry Bedrov, 2017 .

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

Oleg Borodin, Lidan Xing, Dmitry Bedrov, 2012 .

Passive transport of C60 fullerenes through a lipid membrane: a molecular dynamics simulation study.

Dmitry Bedrov, D. Bedrov, Grant D. Smith, 2008, The journal of physical chemistry. B.

Thermal relaxation mechanism and role of chemical functionalization in fullerene solutions.

Pawel Keblinski, Dmitry Bedrov, Sergei Shenogin, 2006, The Journal of chemical physics.

Shock-induced transformations in crystalline RDX: a uniaxial constant-stress Hugoniostat molecular dynamics simulation study.

Dmitry Bedrov, D. Bedrov, Grant D. Smith, 2009, The Journal of chemical physics.

Reactions of singly-reduced ethylene carbonate in lithium battery electrolytes: a molecular dynamics simulation study using the ReaxFF.

Dmitry Bedrov, A. V. van Duin, D. Bedrov, 2012, The journal of physical chemistry. A.

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

Oleg Borodin, Lidan Xing, Dmitry Bedrov, 2013, The journal of physical chemistry letters.

Structural relaxation and dynamic heterogeneity in a polymer melt at attractive surfaces.

Oleg Borodin, Dmitry Bedrov, O. Borodin, 2003, Physical review letters.

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

Dmitry Bedrov, D. Bedrov, Grant D. Smith, 2003 .

Supramolecular self-organization in PEO-modified C60 fullerene/water solutions: influence of polymer molecular weight and nanoparticle concentration.

Dmitry Bedrov, D. Bedrov, Grant D. Smith, 2008, Langmuir : the ACS journal of surfaces and colloids.

Molecular Dynamics Simulations of 1,2-Dimethoxyethane/Water Solutions. 1. Conformational and Structural Properties

Oleg Borodin, Dmitry Bedrov, O. Borodin, 1998 .

A Quantum Chemistry and Reactive (ReaxFF) Molecular Dynamics Simulations Study of Mechanisms of SEI Formation in Lithium-Ion Batteries

Adri C. T. van Duin, Dmitry Bedrov, Grant D. Smith, 2010 .

Multiscale modeling of viscoelastic properties of polymer nanocomposites

Oleg Borodin, John A. Nairn, Dmitry Bedrov, 2005 .

Secondary Johari-Goldstein relaxation in linear polymer melts represented by a simple bead-necklace model

Dmitry Bedrov, D. Bedrov, Grant D. Smith, 2011 .