Browsing Fakultät für Chemie (inkl. GAUSS) by Advisor & Referee "Marx, Dominik Prof. Dr."
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Development of a Generally Applicable Machine Learning Potential with Accurate Long-Range Electrostatic Interactions
(2022-08-16)Machine learning potentials (MLPs) have become an indispensable tool for large-scale atomistic simulations, due to their accuracy comparable with ab-initio methods at considerably reduced computational cost. The development ...