Showing 1 - 3 results of 3 for search '"npj Computational Materials"', query time: 0.03s Refine Results
  1. 1
    Automated identification of bulk structures, two-dimensional materials, and interfaces using symmetry-based clustering

    Automated identification of bulk structures, two-dimensional materials, and interfaces using symmetry-based clustering by Thea Denell, Lauri Himanen, Markus Scheidgen, Claudia Draxl

    Published 2025-02-01
    “…npj Computational Materials…”
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    Accelerating charge estimation in molecular dynamics simulations using physics-informed neural networks: corrosion applications

    Accelerating charge estimation in molecular dynamics simulations using physics-informed neural networks: corrosion applications by Aditya Venkatraman, Mark A. Wilson, David Montes de Oca Zapiain

    Published 2025-02-01
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    ChIMES Carbon 2.0: A transferable machine-learned interatomic model harnessing multifidelity training data

    ChIMES Carbon 2.0: A transferable machine-learned interatomic model harnessing multifidelity training data by Rebecca K. Lindsey, Sorin Bastea, Sebastien Hamel, Yanjun Lyu, Nir Goldman, Vincenzo Lordi

    Published 2025-02-01
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