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Month: August 2023

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Academic Activities

New Paper Published in Journal of Chemical Theory and Computation

August 30, 2023September 17, 2024 samtariyang

Listen to the podcast of this paper: Abstract: Molecular dynamics simulations of the tensile ultimate properties of polymer crystals require the use of empirical potentials

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Academic Activities

New Paper Published in Journal of Chemical Information and Modeling!

August 15, 2023September 17, 2024 samtariyang

Listen to the podcast of this paper: Machine learning-based predictive models allow rapid and reliable prediction of material properties and facilitate innovative materials design. Base

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Recent Posts

  • New Paper Published in Nature Communication
  • A Machine Learning Force Field Method andMonte Carlo Simulations Framework forNanocubes with Arbitrary Sizes
  • Monte Carlo Simulation Framework with ParallelComputing for Nanocubes
  • Started a New Position at NC State
  • New Paper Published in Journal of Chemical Theory and Computation

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