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Kalia Rajiv K

Collaboratory for Advanced Computing and Simulations, Department of Physics and Astronomy, Department of Computer Science, and Department of Chemical Engineering and Materials Science, University of Southern California, Los Angeles, California 90089-0242, USA.

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Towards simulation of the dynamics of materials on quantum computers

Lindsay Bassman,Kuang Liu,Aravind Krishnamoorthy, Thomas Linker, Yifan Geng, Daniel Shebib, Shogo Fukushima,Fuyuki Shimojo,Rajiv K. Kalia,Aiichiro Nakano,Priya Vashishta

Physical Review B, no. 18 (2020)

Bibtex

Anisotropic structural dynamics of monolayer crystals revealed by femtosecond surface X-ray scattering

I-Cheng Tung,Aravind Krishnamoorthy, Sridhar Sadasivam,Hua Zhou, Qi Zhang, Kyle L. Seyler, Genevieve Clark, Ehren M. Mannebach, Clara Nyby, Friederike Ernst,Diling Zhu,James M. Glownia

Nature Photonics, no. 6 (2019): 425-430

Bibtex

Semiconductor-metal structural phase transformation in MoTe 2 monolayers by electronic excitation

Aravind Krishnamoorthy, Lindsay Bassman,Rajiv K Kalia,Aiichiro Nakano,Fuyuki Shimojo,Priya Vashishta

Nanoscale, (2018)

Cited by2WOSBibtex

Anisotropic mechanoresponse of energetic crystallites: a quantum molecular dynamics study of nano-collision

Ying Li,Rajiv K Kalia, Masaaki Misawa,Aiichiro Nakano,Ken-Ichi Nomura,Kohei Shimamura,Fuyuki Shimojo,Priya Vashishta

Nanoscale, (2016)

Cited by1WOSBibtex

The nature of free-carrier transport in organometal halide perovskites

Tomoya Hakamata,Kohei Shimamura,Fuyuki Shimojo,Rajiv K Kalia,Aiichiro Nakano,Priya Vashishta

Scientific reports, (2016): 19599-19599

Cited by33WOSBibtex

Nanocarbon synthesis by high-temperature oxidation of nanoparticles

Ken-ichi Nomura,Rajiv K Kalia,Ying Li,Aiichiro Nakano,Pankaj Rajak, Chunyang Sheng,Kohei Shimamura,Fuyuki Shimojo,Priya Vashishta

Scientific Reports, (2016): 24109-24109

Cited by9WOSNATUREBibtex

Dynamics of supercooled water in nanotubes: Cage correlation function and diffusion coefficient

Mahdi Khademi,Rajiv K Kalia,Muhammad Sahimi

Physical review. E, Statistical, nonlinear, and soft matter physics, no. 3-1 (2015): 030301-030301

Cited by10WOSBibtex

A divide-conquer-recombine algorithmic paradigm for large spatiotemporal quantum molecular dynamics simulations

Fuyuki Shimojo,Shinnosuke Hattori,Rajiv K Kalia,Manaschai Kunaseth,Weiwei Mou,Aiichiro Nakano,Ken-ichi Nomura,Satoshi Ohmura,Pankaj Rajak,Kohei Shimamura,Priya Vashishta

The Journal of chemical physics, no. 18 (2014): 18A529-18A529

Cited by22WOSBibtex

Hydrogen-on-demand using metallic alloy nanoparticles in water

Kohei Shimamura,Fuyuki Shimojo,Rajiv K Kalia,Aiichiro Nakano,Ken-Ichi Nomura,Priya Vashishta

Nano letters, no. 7 (2014): 4090-4096

Cited by28WOSBibtex

Cholesterol translocation in a phospholipid membrane

Amit Choubey,Rajiv K Kalia,Noah Malmstadt,Aiichiro Nakano,Priya Vashishta

Biophysical Journal, no. 11 (2013): 2429-2436

Cited by19WOSBibtex

Bonding and structure of ceramic-ceramic interfaces

Kohei Shimamura,Fuyuki Shimojo,Rajiv K Kalia,Aiichiro Nakano,Priya Vashishta

Physical review letters, no. 6 (2013): 066103-066103

Cited by13WOSBibtex

Nanobubble collapse on a silica surface in water: billion-atom reactive molecular dynamics simulations

Adarsh Shekhar,Ken-ichi Nomura,Rajiv K Kalia,Aiichiro Nakano,Priya Vashishta

Physical review letters, no. 18 (2013): 184503-184503

Cited by39WOSBibtex

Reaction of aluminum clusters with water

Satoshi Ohmura,Fuyuki Shimojo,Rajiv K Kalia,Manaschai Kunaseth,Aiichiro Nakano,Priya Vashishta

The Journal of chemical physics, no. 24 (2011): 244702-244702

Cited by21WOSBibtex

Vibrational and thermodynamic properties of β-HMX: a first-principles investigation

Zhongqing Wu,Rajiv K Kalia,Aiichiro Nakano,Priya Vashishta

The Journal of chemical physics, no. 20 (2011): 204509-204509

Cited by7WOSBibtex

First-principles calculations of the structural and dynamic properties, and the equation of state of crystalline iodine oxides I2O4, I2O5, and I2O6

Zhongqing Wu,Rajiv K Kalia,Aiichiro Nakano,Priya Vashishta

The Journal of chemical physics, no. 20 (2011): 204501-204501

Cited by1WOSBibtex

Density functional study of 1,3,5-trinitro-1,3,5-triazine molecular crystal with van der Waals interactions

Fuyuki Shimojo,Zhongqing Wu,Aiichiro Nakano,Rajiv K Kalia,Priya Vashishta

The Journal of chemical physics, no. 9 (2010): 094106-094106

Cited by27WOSBibtex

1,3,5-trinitro-1,3,5-triazine decomposition and chemisorption on Al(111) surface: first-principles molecular dynamics study

Naoto Umezawa,Rajiv K Kalia,Aiichiro Nakano,Priya Vashista,Fuyuki Shimojo

The Journal of chemical physics, no. 23 (2007): 234702-234702

Cited by32WOSBibtex

Shock-induced structural phase transition, plasticity, and brittle cracks in aluminum nitride ceramic

Paulo S. Branicio,Rajiv K. Kalia,Aiichiro Nakano,Priya Vashishta

Physical review letters, no. 6 (2006): 065502-065502

Cited by57WOSBibtex

Multimillion atom simulations of dynamics of oxidation of an aluminum nanoparticle and nanoindentation on ceramics

Priya Vashishta,Rajiv K. Kalia,Aiichiro Nakano

The journal of physical chemistry. B, no. 8 (2006): 3727-3733

Cited by29WOSBibtex

Electric field induced switching of poly(ethylene glycol) terminated self-assembled monolayers: a parallel molecular dynamics simulation

Satyavani Vemparala,Rajiv K Kalia,Aiichiro Nakano,Priya Vashishta

The Journal of chemical physics, no. 11 (2004): 5427-5433

Cited by24WOSBibtex

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