Kaushik Joshi
Kaushik Joshi
Research Associate, University of Virginia
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Cited by
Cited by
Exploring the conformational and reactive dynamics of biomolecules in solution using an extended version of the glycine reactive force field
S Monti, A Corozzi, P Fristrup, KL Joshi, YK Shin, P Oelschlaeger, ...
Physical Chemistry Chemical Physics 15 (36), 15062-15077, 2013
A Reaxff reactive force-field for proton transfer reactions in bulk water and its applications to heterogeneous catalysis
ACT van Duin, C Zou, K Joshi, V Bryantsev, WA Goddard
Computational Catalysis 14, 223, 2013
Connectivity-based parallel replica dynamics for chemically reactive systems: from femtoseconds to microseconds
KL Joshi, S Raman, ACT Van Duin
The Journal of Physical Chemistry Letters 4 (21), 3792-3797, 2013
Graphene reinforced carbon fibers
Z Gao, J Zhu, S Rajabpour, K Joshi, M Kowalik, B Croom, Y Schwab, ...
Science advances 6 (17), eaaz4191, 2020
ReaxFF molecular dynamics simulation of thermal stability of a Cu 3 (BTC) 2 metal–organic framework
L Huang, KL Joshi, ACT Van Duin, TJ Bandosz, KE Gubbins
Physical Chemistry Chemical Physics 14 (32), 11327-11332, 2012
Reactive molecular simulations of protonation of water clusters and depletion of acidity in H-ZSM-5 zeolite
KL Joshi, G Psofogiannakis, ACT Van Duin, S Raman
Physical Chemistry Chemical Physics 16 (34), 18433-18441, 2014
Reactive adsorption of ammonia and ammonia/water on CuBTC metal-organic framework: A ReaxFF molecular dynamics simulation
L Huang, T Bandosz, KL Joshi, ACT Van Duin, KE Gubbins
The Journal of chemical physics 138 (3), 034102, 2013
Generation and characterization of carbon fiber microstructures by atomistic simulations
K Joshi, MI Arefev, LV Zhigilei
Carbon 152, 396-408, 2019
Reactive simulation of the chemistry behind the condensed-phase ignition of RDX from hot spots
KL Joshi, S Chaudhuri
Physical Chemistry Chemical Physics 17 (28), 18790-18801, 2015
Development of a ReaxFF description of gold oxides and initial application to cold welding of partially oxidized gold surfaces
K Joshi, ACT van Duin, T Jacob
Journal of Materials Chemistry 20 (46), 10431-10437, 2010
Mirrored continuum and molecular scale simulations of the ignition of high-pressure phases of RDX
K Lee, K Joshi, S Chaudhuri, DS Stewart
The Journal of chemical physics 144 (18), 184111, 2016
Unveiling carbon ring structure formation mechanisms in polyacrylonitrile-derived carbon fibers
J Zhu, Z Gao, M Kowalik, K Joshi, CM Ashraf, MI Arefev, Y Schwab, ...
ACS applied materials & interfaces 11 (45), 42288-42297, 2019
Observation of deflagration wave in energetic materials using reactive molecular dynamics
K Joshi, S Chaudhuri
Combustion and Flame 184, 20-29, 2017
Intermolecular energy transfer dynamics at a hot-spot interface in RDX crystals
K Joshi, M Losada, S Chaudhuri
The Journal of Physical Chemistry A 120 (4), 477-489, 2016
Effect of formic acid addition on water cluster stability and structure
EG Goken, KL Joshi, MF Russo Jr, ACT Van Duin, AW Castleman Jr
The Journal of Physical Chemistry A 115 (18), 4657-4664, 2011
Molecular dynamics study on the Influence of additives on the high-temperature structural and acidic properties of ZSM-5 zeolite
KL Joshi, ACT Van Duin
Energy & fuels 27 (8), 4481-4488, 2013
Hot spot interaction with hydroxyl-terminated polybutadiene binder in energetic composites
K Joshi, S Chaudhuri
The Journal of Physical Chemistry C 122 (26), 14434-14446, 2018
Empirical force field-based kinetic Monte Carlo simulation of precipitate evolution and growth in Al–Cu alloys
K Joshi, S Chaudhuri
Modelling and Simulation in Materials Science and Engineering 24 (7), 075012, 2016
Computational Catalysis
Royal Society of Chemistry Staff
Royal Society of Chemistry, 2013
Can amorphization take place in nanoscale interconnects?
S Kumar, KL Joshi, ACT Van Duin, MA Haque
Nanotechnology 23 (9), 095701, 2012
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