Showing 1 - 5 results of 5 for search 'Jonathan Vandermause', query time: 0.02s Refine Results
  1. 1
    Uncertainty driven active learning of coarse grained free energy models

    Uncertainty driven active learning of coarse grained free energy models by Blake R. Duschatko, Jonathan Vandermause, Nicola Molinari, Boris Kozinsky

    Published 2024-01-01
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  2. 2
    Bayesian force fields from active learning for simulation of inter-dimensional transformation of stanene

    Bayesian force fields from active learning for simulation of inter-dimensional transformation of stanene by Yu Xie, Jonathan Vandermause, Lixin Sun, Andrea Cepellotti, Boris Kozinsky

    Published 2021-03-01
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  3. 3
    Active learning of reactive Bayesian force fields applied to heterogeneous catalysis dynamics of H/Pt

    Active learning of reactive Bayesian force fields applied to heterogeneous catalysis dynamics of H/Pt by Jonathan Vandermause, Yu Xie, Jin Soo Lim, Cameron J. Owen, Boris Kozinsky

    Published 2022-09-01
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  4. 4
    Uncertainty-aware molecular dynamics from Bayesian active learning for phase transformations and thermal transport in SiC

    Uncertainty-aware molecular dynamics from Bayesian active learning for phase transformations and thermal transport in SiC by Yu Xie, Jonathan Vandermause, Senja Ramakers, Nakib H. Protik, Anders Johansson, Boris Kozinsky

    Published 2023-03-01
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  5. 5
    Accurate and scalable graph neural network force field and molecular dynamics with direct force architecture

    Accurate and scalable graph neural network force field and molecular dynamics with direct force architecture by Cheol Woo Park, Mordechai Kornbluth, Jonathan Vandermause, Chris Wolverton, Boris Kozinsky, Jonathan P. Mailoa

    Published 2021-05-01
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