688 citations · 1.4k across the 8 of their papers we have counts for
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cond-mat.soft2023★ 1 cited
Comparing machine learning potentials for water: Kernel-based regression and Behler-Parrinello neural networks
Pablo Montero de Hijes, Christoph Dellago, Ryosuke Jinnouchi +2
In this paper we investigate the performance of different machine learning potentials (MLPs) in predicting key thermodynamic properties of water using RPBE+D3. Specifically, we scr…
physics.chem-ph2023
Machine Learning-Aided First-Principles Calculations of Redox Potentials
Ryosuke Jinnouchi, Ferenc Karsai, Georg Kresse
Redox potentials of electron transfer reactions are of fundamental importance for the performance and description of electrochemical devices. Despite decades of research, accurate…