"au:"A. Shapeev"" — arXiv2 Search

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"au:"A. Shapeev"" — arXiv2 Search

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Mar 26, 2026Machine-Learned Interatomic Potentials for Predicting Physicochemical Properties of Molten Metal-Salt Systems for Calcium Electrolysis Apr 19, 2021Bayesian learning of thermodynamic integration and numerical convergence for accurate phase diagrams Jun 22, 2013Analysis of Boundary Conditions for Crystal Defect Atomistic Simulations Dec 7, 2018Moment tensor Potentials as a Promising Tool to Study Diffusion Processes May 20, 2025Path-integral molecular dynamics with actively-trained and universal machine learning force fields Apr 17, 2012Interpolants of Lattice Functions for the Analysis of Atomistic/Continuum Multiscale Methods