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Physical Review Letters|October 6, 2000
Molecular dynamics simulation of structural transformation in silicon carbide under pressureShimojo, Ebbsjo, Kalia, et al.
Physical Review Letters|January 3, 2001
Grain Boundaries in Gallium Arsenide Nanocrystals Under Pressure: A Parallel Molecular-Dynamics StudyKodiyalam, Kalia, Kikuchi, et al.
The Journal of Physical Chemistry. B|February 24, 2006
Multimillion atom simulations of dynamics of oxidation of an aluminum nanoparticle and nanoindentation on ceramicsPriya Vashishta, Rajiv K Kalia, Aiichiro Nakano
Physical Review Letters|October 4, 2000
Dislocation emission at the Silicon/Silicon nitride interface: A million atom molecular dynamics simulation on parallel computersBachlechner, Omeltchenko, Nakano, et al.
Physical Review Letters|October 4, 2000
Stress domains in Si(111)/a-Si3N4 nanopixel: ten-million-atom molecular dynamics simulations on parallel computersOmeltchenko, Bachlechner, Nakano, et al.
The Journal of Chemical Physics|June 7, 2011
Vibrational and thermodynamic properties of β-HMX: a first-principles investigationZhongqing Wu, Rajiv K Kalia, Aiichiro Nakano, et al.
The Journal of Chemical Physics|September 9, 2004
Electric field induced switching of poly(ethylene glycol) terminated self-assembled monolayers: a parallel molecular dynamics simulationSatyavani Vemparala, Rajiv K Kalia, Aiichiro Nakano, et al.
ACS Nano|August 4, 2018
Faceting, Grain Growth, and Crack Healing in AluminaPankaj Rajak, Rajiv K Kalia, Aiichiro Nakano, et al.
The Journal of Chemical Physics|June 7, 2011
First-principles calculations of the structural and dynamic properties, and the equation of state of crystalline iodine oxides I2O4, I2O5, and I2O6Zhongqing Wu, Rajiv K Kalia, Aiichiro Nakano, et al.
ACS Omega|January 8, 2020
Electrostrictive Cavitation in Water Induced by a SnO<sub>2</sub> NanoparticleShane Jackson, Aiichiro Nakano, Priya Vashishta, et al.
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