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Development of robust neural-network interatomic potential for molten salt - ScienceDirect
PDF) Accurate Many-Body Repulsive Potentials for Density-Functional Tight-Binding from Deep Tensor Neural Networks
Materials, Free Full-Text
Previous Publications Fritz Haber Institute of the Max Planck Society
Force between Two Parallel Current Carrying Conductors
Density-Functional Tight-Binding Parameters for Bulk Zirconium: A Case Study for Repulsive Potentials
Ultra-fast interpretable machine-learning potentials
PDF] Enhancing the accuracy of density functional tight binding models through ChIMES many-body interaction potentials.
Force Fields and Interactions – Practical considerations for Molecular Dynamics
Biomolecular Force Field Parameterization via Atoms-in-Molecule Electron Density Partitioning
Materials, Free Full-Text