most citedRecord Index-Bandgap Trade-off: CdPS3 as a High-Index van der Waals Platform for Ultraviolet-Visible Nanophotonics

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cond-mat.mtrl-sci2024

Actively-trained magnetic Moment Tensor Potentials for mechanical, dynamical, and thermal properties of paramagnetic CrN

Alexey S. Kotykhov, Max Hodapp, Christian Tantardini +4

We present a protocol for automated fitting of magnetic Moment Tensor Potential explicitly including magnetic moments in its functional form. For the fitting of this potential we u…