Rajiv K. Kalia

Research.com Recognitions

• 2007 - Fellow of American Physical Society (APS) Citation For contributions to the development of multimillionatom multiscale simulation methods on parallel computers and their application to the fundamental understanding of atomistic mechanisms for broad properties and processes in nanostructured materials

Overview

Best Publications

• Interaction potential for SiO2 : a molecular-dynamics study of structural correlations

  P. Vashishta;Rajiv K. Kalia;José P. Rino;Ingvar Ebbsjö

  669
  Citations

• DYNAMICS OF OXIDATION OF ALUMINUM NANOCLUSTERS USING VARIABLE CHARGE MOLECULAR-DYNAMICS SIMULATIONS ON PARALLEL COMPUTERS

  Timothy Campbell;Rajiv K. Kalia;Aiichiro Nakano;Priya Vashishta

  434
  Citations

• Interaction potential for silicon carbide: A molecular dynamics study of elastic constants and vibrational density of states for crystalline and amorphous silicon carbide

  Priya Vashishta;Rajiv K. Kalia;Aiichiro Nakano;José Pedro Rino

  407
  Citations

• Intermediate-range order in permanently densified vitreous SiO2 : a neutron-diffraction and molecular-dynamics study

  S. Susman;K. J. Volin;D. L. Price;M. Grimsditch

  366
  Citations

• Universal behavior of exchange-correlation energy in electron-hole liquid

  P. Vashishta;R. K. Kalia

  344
  Citations

• Structure of rings in vitreous SiO 2

  José P. Rino;Ingvar Ebbsjö;Rajiv K. Kalia;Aiichiro Nakano

  305
  Citations

• ATOMISTIC ASPECTS OF CRACK PROPAGATION IN BRITTLE MATERIALS: Multimillion Atom Molecular Dynamics Simulations

  Cindy L. Rountree;Rajiv K. Kalia;Elefterios Lidorikis;Aiichiro Nakano

  263
  Citations

• Incipient phase separation in Ag/Ge/Se glasses: clustering of Ag atoms

  Hiroshi Iyetomi;Priya Vashishta;Rajiv K. Kalia

  235
  Citations

• Re Doping in 2D Transition Metal Dichalcogenides as a New Route to Tailor Structural Phases and Induced Magnetism

  Vidya Kochat;Amey Apte;Jordan A. Hachtel;Hiroyuki Kumazoe;Hiroyuki Kumazoe

  232
  Citations

• Molecular dynamics simulation of structural transformation in silicon carbide under pressure

  Fuyuki Shimojo;Fuyuki Shimojo;Ingvar Ebbsjö;Rajiv K. Kalia;Aiichiro Nakano

  231
  Citations

• Interaction potentials for alumina and molecular dynamics simulations of amorphous and liquid alumina

  Priya Vashishta;Rajiv K. Kalia;Aiichiro Nakano;José Pedro Rino

  224
  Citations

• Hybrid finite-element/molecular-dynamics/electronic-density-functional approach to materials simulations on parallel computers

  Shuji Ogata;Elefterios Lidorikis;Fuyuki Shimojo;Aiichiro Nakano

  206
  Citations

• Dynamic transition in the structure of an energetic crystal during chemical reactions at shock front prior to detonation.

  Ken Ichi Nomura;Rajiv K. Kalia;Aiichiro Nakano;Priya Vashishta

  182
  Citations

• Direct atomistic simulation of quartz crystal oscillators: Bulk properties and nanoscale devices

  Jeremy Q. Broughton;Christopher A. Meli;Priya Vashishta;Rajiv K. Kalia

  174
  Citations

• Multiscale simulation of nanosystems

  A. Nakano;M.E. Bachlechner;R.K. Kalia;E. Lidorikis

  174
  Citations

• Active learning for accelerated design of layered materials

  Lindsay Bassman;Pankaj Rajak;Rajiv K. Kalia;Aiichiro Nakano

  168
  Citations

• Atomic correlations and intermediate-range order in molten and amorphous GeSe2.

  P. Vashishta;Rajiv K. Kalia;Giomal A. Antonio;I. Ebbsjö

  165
  Citations

• Tellurene Photodetector with High Gain and Wide Bandwidth.

  Chenfei Shen;Yihang Liu;Jiangbin Wu;Chi Xu

  162
  Citations

• Crack Front Propagation and Fracture in a Graphite Sheet: A Molecular-Dynamics Study on Parallel Computers

  Andrey Omeltchenko;Jin Yu;Rajiv K. Kalia;Priya Vashishta

  162
  Citations

• Structural transformation in densified silica glass: A molecular-dynamics study

  Wei Jin;Rajiv K. Kalia;Priya Vashishta;José P. Rino

  151
  Citations

• Dynamics and morphology of brittle cracks: A molecular-dynamics study of silicon nitride.

  Aiichiro Nakano;Rajiv K. Kalia;Priya Vashishta

  148
  Citations