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Last 3 years

(3)

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LAMMPS

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3 results in Keywords: LAMMPS

AL4GAP: Active Learning Workflow for generating DFT-SCAN Accurate Machine-Learning Potentials for Combinatorial Molten Salt Mixtures

Jicheng Guo, Vanessa Woo, David Andersson, Nathaniel Hoyt, Mark Williamson, Ian Foster, Chris Benmore, Nicholas Jackson, Ganesh Sivaraman

Version 1 posted 24 April 2023

617

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1

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Theoretical and Computational Chemistry

Type Label Framework for Bonded Force Fields in LAMMPS

Jacob R. Gissinger, Ilia Nikiforov, Yaser Afshar, Brendon Waters, Moon-ki Choi, Daniel S. Karls, Alexander Stukowski, Wonpil Im, Hendrik Heinz, Axel Kohlmeyer, Ellad B. Tadmor

Version 1 posted 20 February 2024

866

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Materials Science

LUNAR: Automated Input Generation and Analysis for Reactive LAMMPS Simulations

Josh Kemppainen, Jacob Gissinger, S. Gowtham, Gregory Odegard

Version 1 posted 29 April 2024

533

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1

Citations