65 citations · 73 across the 4 of their papers we have counts for
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cond-mat.mtrl-sci2025
Finding the temperature window for atomic layer deposition of ruthenium metal via efficient phonon calculations
Alexandr Fonari, Simon D. Elliott, Casey N. Brock +3
We investigate the use of first principles thermodynamics based on periodic density functional theory (DFT) to examine the gas-surface chemistry of an oxidized ruthenium surface re…
physics.chem-ph2025★ 7 cited
Efficient Long-Range Machine Learning Force Fields for Liquid and Materials Properties
John L. Weber, Rishabh D. Guha, Garvit Agarwal +10
Machine learning force fields (MLFFs) have emerged as a sophisticated tool for cost-efficient atomistic simulations approaching DFT accuracy, with recent message passing MLFFs able…