Jorg Behler

activity

20202026

most citedMachine learning potentials for redox chemistry in solution

6 citations · 9 across the 5 of their papers we have counts for

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cond-mat.mtrl-sci2025

Molecular Dynamics Simulations of $γ$ -Belite(010)-Water Interfaces with High-Dimensional Neural Network Potentials

Bernadeta Prus, Jörg Behler

Belite -- dicalcium silicate Ca $_{2}$ SiO $_{4}$ -- is a main constituent of low-carbon cement. In this work, we study several terminations of the (010) surface of $γ$ -belite, its most s…

Molecular Dynamics Simulations of γ-Belite(010)-Water Interfaces with High-Dimensional Neural Network Potentials

Molecular Dynamics Simulations of $γ$ -Belite(010)-Water Interfaces with High-Dimensional Neural Network Potentials