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List of works by Aidan P Thompson

Extending the accuracy of the SNAP interatomic potential form

scientific article published on 01 June 2018

FitSNAP: Atomistic machine learning with LAMMPS

scientific article published in 2023

LAMMPS - a flexible simulation tool for particle-based materials modeling at the atomic, meso, and continuum scales

scientific article published in 2022

Massively parallel symplectic algorithm for coupled magnetic spin dynamics and molecular dynamics

scientific article published in 2018

Multi-fidelity machine-learning with uncertainty quantification and Bayesian optimization for materials design: Application to ternary random alloys

scientific article published on 01 August 2020

Training data selection for accuracy and transferability of interatomic potentials

scientific article published in 2022

Water desorption from rapidly-heated metal oxide surfaces-first principles, molecular dynamics, and the Temkin isotherm

scientific article published on 27 September 2018

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