A Molecular Dynamics Simulation Study of the Influence of Hydrogen-Bonding and Polar Interactions on Hydration and Conformations of a Poly(ethylene oxide) Oligomer in Dilute Aqueous Solution
Grant D. Smith , Dmitry Bedrov
Macromolecules 35 ( 14) 5712 -5719
63
2002
Molecular Dynamics Simulation Study of Dielectric Relaxation in Aqueous Poly(ethylene oxide) Solutions
Oleg Borodin , Dmitry Bedrov , Grant D. Smith
Macromolecules 35 ( 6) 2410 -2412
19
2002
Molecular Dynamics Simulation of Alkylthiol Self-Assembled Monolayers on Liquid Mercury.
Anton Iakovlev , Dmitry Bedrov , Marcus Müller
Langmuir 33 ( 3) 744 -754
5
2017
Molecular dynamics simulations of HMX crystal polymorphs using a flexible molecule force field
Dmitry Bedrov , Chakravarthy Ayyagari , Grant D. Smith , Thomas D. Sewell
Journal of Computer-aided Materials Design 8 ( 2) 77 -85
80
2001
A molecular dynamics simulation study of the viscoelastic properties of polymer nanocomposites
Grant D. Smith , Dmitry Bedrov , Liwei Li , Oleksiy Byutner
Journal of Chemical Physics 117 ( 20) 9478 -9489
322
2002
A molecular-dynamics simulation study of the switching dynamics of a nematic liquid crystal under an applied electrical field
Pu Tian , Dmitry Bedrov , Grant D. Smith , Matthew Glaser
Journal of Chemical Physics 117 ( 20) 9452 -9459
9
2002
Thermophysical properties of energetic ionic liquids/nitric acid mixtures: insights from molecular dynamics simulations.
Justin B. Hooper , Grant D. Smith , Dmitry Bedrov
Journal of Chemical Physics 139 ( 10) 104503 -104503
9
2013
Dynamics of a poly(isoprene)/poly(vinyl ethylene) blend revisited: Component polymer relaxation and blend behavior
Grant D. Smith , Dmitry Bedrov
European Polymer Journal 42 ( 12) 3248 -3256
9
2006
Polypeptide grafted hyaluronan: A self-assembling comb-branched polymer constructed from biological components
Madhuvanthi A. Kandadai , Rajasekhar Anumolu , Xiaojun Wang , Durairaj Baskaran
European Polymer Journal 47 ( 10) 2022 -2027
2
2011
A molecular simulation study of the structure and tribology of polymer brushes: Comparison of behavior in theta and good solvents
Fang Yin , Dmitry Bedrov , Grant D. Smith
European Polymer Journal 44 ( 11) 3670 -3675
9
2008
Influence of poly(ethylene oxide) brushes on the rheological properties of MgO colloidal suspensions in water
Dmitry Bedrov , Grant D. Smith , Byong-Wa Chun
European Polymer Journal 46 ( 11) 2129 -2137
7
2010
The effect of hydrogen bonding on oligoleucine structure in water: A molecular dynamics simulation study
Ben Hanson , Dmitry Bedrov , Jules J. Magda , Grant D. Smith
European Polymer Journal 46 ( 12) 2310 -2320
2
2010
Dispersing nanoparticles in a polymer matrix: are long, dense polymer tethers really necessary?
Grant D. Smith , Dmitry Bedrov
Langmuir 25 ( 19) 11239 -11243
163
2009
Insight into Lithium Ion Transport Properties of Artificial Solid Electrolyte Interfaces By Molecular Dynamics Simulations
Elisabeth Verweyen , Dmitry Bedrov , Martin Winter , Gunther Brunklaus
ECS Meeting Abstracts ( 68) 3438 -3438
2020
Repulsive solvent-induced interaction betweenC60fullerenes in water
Liwei Li , Dmitry Bedrov , Grant D. Smith
Physical Review E 71 ( 1) 011502 -011502
59
2005
Molecular dynamics simulation study of the α- And β-relaxation processes in a realistic model polymer
Dmitry Bedrov , Grant D. Smith
Physical Review E 71 ( 5) 050801 -050801
21
2005
Structure of Atactic Polystyrene: A Molecular Dynamics Simulation Study
Chakravarthy Ayyagari , Dmitry Bedrov , Grant D. Smith
Macromolecules 33 ( 16) 6194 -6199
77
2000
Molecular dynamics simulation study of the structure of poly(ethylene oxide) brushes on nonpolar surfaces in aqueous solution.
Dmitry Bedrov , Grant D. Smith
Langmuir 22 ( 14) 6189 -6194
44
2006
Li+ Transport and Mechanical Properties of Model Solid Electrolyte Interphases (SEI): Insight from Atomistic Molecular Dynamics Simulations
Dmitry Bedrov , Oleg Borodin , Justin B. Hooper
Journal of Physical Chemistry C 121 ( 30) 16098 -16109
65
2017
CALIBRATION AND RANKING OF COARSE-GRAINED MODELS IN MOLECULAR SIMULATIONS USING BAYESIAN FORMALISM
Hadi Meidani , Justin B. Hooper , Dmitry Bedrov , Robert M. Kirby
International Journal for Uncertainty Quantification 7 ( 2) 99 -115
3
2017