articleParallel ComputingSep 29, 2011Closed access

Parallel reactive molecular dynamics: Numerical methods and algorithmic techniques

HMHasan Metin AktulgaJFJoseph FogartySPSagar PanditAGAnanth Grama

Purdue University West Lafayette · University of South Florida

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Topics
Keywords
  • Computer science
  • ReaxFF
  • Molecular dynamics
  • Scalability
  • Computational science
  • Parallel computing
  • Chemistry
  • Computational chemistry
UN Sustainable Development Goals
  • Affordable and clean energy
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