Kaushik Joshi
Kaushik Joshi
Research Associate, University of Virginia
Verified email at virginia.edu
TitleCited byYear
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
582013
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, 223-243, 2013
48*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
452013
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
352012
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
252010
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
242013
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
192014
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
182015
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
152016
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
122016
Observation of deflagration wave in energetic materials using reactive molecular dynamics
K Joshi, S Chaudhuri
Combustion and Flame 184, 20-29, 2017
112017
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
112011
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
92013
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
82016
Can amorphization take place in nanoscale interconnects?
S Kumar, KL Joshi, ACT Van Duin, MA Haque
Nanotechnology 23 (9), 095701, 2012
72012
v.; Bandosz, TJ; Gubbins, KE ReaxFF molecular dynamics simulation of thermal stability of a Cu3 (BTC) 2 metal-organic framework
L Huang, KL Joshi, ACT Duin
Phys. Chem. Chem. Phys 14, 11327-11332, 2012
62012
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
42018
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
22019
Generation and characterization of carbon fiber microstructure in atomistic simulations
K Joshi, MI Arefev, LV Zhigilei
Carbon, 2019
22019
Extending atomistic scale chemistry to mesoscale model of condensed-phase deflagration
K Joshi, S Chaudhuri
AIP Conference Proceedings 1793 (1), 030025, 2017
12017
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Articles 1–20