124 citations · 173 across the 4 of their papers we have counts for
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cond-mat.mtrl-sci2021★ 12 cited
Unsupervised learning-based structural analysis: Search for a characteristic low-dimensional space by local structures in atomistic simulations
Ryo Tamura, Momo Matsuda, Jianbo Lin +3
Owing to the advances in computational techniques and the increase in computational power, atomistic simulations of materials can simulate large systems with higher accuracy. Compl…
cond-mat.mtrl-sci2019★ 25 cited
Highly accurate local basis sets for large-scale DFT calculations in CONQUEST
David R. Bowler, Jack S. Baker, Jack T. L. Poulton +5
Given the widespread use of density functional theory (DFT), there is an increasing need for the ability to model large systems (beyond 1,000 atoms). We present a brief overview of…