| Dynamics of oxidation of aluminum nanoclusters using variable charge molecular-dynamics simulations on parallel computers T Campbell, RK Kalia, A Nakano, P Vashishta, S Ogata, S Rodgers Physical review letters 82 (24), 4866, 1999 | 451 | 1999 |
| Interaction potential for silicon carbide: A molecular dynamics study of elastic constants and vibrational density of states for crystalline and amorphous silicon carbide P Vashishta, RK Kalia, A Nakano, JP Rino Journal of applied physics 101 (10), 2007 | 387 | 2007 |
| Structure of rings in vitreous SiO 2 JP Rino, I Ebbsjö, RK Kalia, A Nakano, P Vashishta Physical Review B 47 (6), 3053, 1993 | 303 | 1993 |
| A crossover in the mechanical response of nanocrystalline ceramics I Szlufarska, A Nakano, P Vashishta Science 309 (5736), 911-914, 2005 | 301 | 2005 |
| Atomistic aspects of crack propagation in brittle materials: Multimillion atom molecular dynamics simulations CL Rountree, RK Kalia, E Lidorikis, A Nakano, L Van Brutzel, P Vashishta Annual Review of Materials Research 32 (1), 377-400, 2002 | 269 | 2002 |
| Parallel multilevel preconditioned conjugate-gradient approach to variable-charge molecular dynamics A Nakano Computer Physics Communications 104 (1-3), 59-69, 1997 | 229 | 1997 |
| Interaction potentials for alumina and molecular dynamics simulations of amorphous and liquid alumina P Vashishta, RK Kalia, A Nakano, JP Rino Journal of Applied Physics 103 (8), 2008 | 227 | 2008 |
| Re doping in 2D transition metal dichalcogenides as a new route to tailor structural phases and induced magnetism V Kochat, A Apte, JA Hachtel, H Kumazoe, A Krishnamoorthy, S Susarla, ... Advanced Materials 29 (43), 1703754, 2017 | 226 | 2017 |
| Molecular dynamics simulation of structural transformation in silicon carbide under pressure F Shimojo, I Ebbsjö, RK Kalia, A Nakano, JP Rino, P Vashishta Physical review letters 84 (15), 3338, 2000 | 226 | 2000 |
| Hybrid finite-element/molecular-dynamics/electronic-density-functional approach to materials simulations on parallel computers S Ogata, E Lidorikis, F Shimojo, A Nakano, P Vashishta, RK Kalia Computer Physics Communications 138 (2), 143-154, 2001 | 203 | 2001 |
| Linear-scaling density-functional-theory calculations of electronic structure based on real-space grids: design, analysis, and scalability test of parallel algorithms F Shimojo, RK Kalia, A Nakano, P Vashishta Computer Physics Communications 140 (3), 303-314, 2001 | 171 | 2001 |
| Dynamic Transition in the Structure of an Energetic Crystal during Chemical Reactions<? format?> at Shock Front Prior to Detonation K Nomura, RK Kalia, A Nakano, P Vashishta, ACT Van Duin, ... Physical review letters 99 (14), 148303, 2007 | 168 | 2007 |
| Multiscale simulation of nanosystems A Nakano, ME Bachlechner, RK Kalia, E Lidorikis, P Vashishta, ... Computing in Science & Engineering 3 (4), 56-66, 2001 | 166 | 2001 |
| Dynamics and morphology of brittle cracks: A molecular-dynamics study of silicon nitride A Nakano, RK Kalia, P Vashishta Physical Review Letters 75 (17), 3138, 1995 | 165 | 1995 |
| Active learning for accelerated design of layered materials L Bassman Oftelie, P Rajak, RK Kalia, A Nakano, F Sha, J Sun, DJ Singh, ... npj Computational Materials 4 (1), 74, 2018 | 155 | 2018 |
| A space–time-ensemble parallel nudged elastic band algorithm for molecular kinetics simulation A Nakano Computer Physics Communications 178 (4), 280-289, 2008 | 152 | 2008 |
| Tellurene photodetector with high gain and wide bandwidth C Shen, Y Liu, J Wu, C Xu, D Cui, Z Li, Q Liu, Y Li, Y Wang, X Cao, ... ACS nano 14 (1), 303-310, 2019 | 147 | 2019 |
| Oxidation of aluminum nanoclusters TJ Campbell, G Aral, S Ogata, RK Kalia, A Nakano, P Vashishta Physical Review B—Condensed Matter and Materials Physics 71 (20), 205413, 2005 | 127 | 2005 |
| Brittle dynamic fracture of crystalline cubic silicon carbide (3C-SiC) via molecular dynamics simulation H Kikuchi, RK Kalia, A Nakano, P Vashishta, PS Branicio, F Shimojo Journal of applied physics 98 (10), 2005 | 126 | 2005 |
| Energetic performance of optically activated aluminum/graphene oxide composites Y Jiang, S Deng, S Hong, J Zhao, S Huang, CC Wu, JL Gottfried, ... ACS nano 12 (11), 11366-11375, 2018 | 122 | 2018 |
