Magnetic Moment Tensor Potentials for collinear spin-polarized materials reproduce different magnetic states of bcc Fe
We present the magnetic Moment Tensor Potentials (mMTPs), a class of machine-learning
interatomic potentials, accurately reproducing both vibrational and magnetic degrees of …
interatomic potentials, accurately reproducing both vibrational and magnetic degrees of …
Machine-learned interatomic potentials: Recent developments and prospective applications
High-throughput generation of large and consistent ab initio data combined with advanced
machine-learning techniques are enabling the creation of interatomic potentials of near ab …
machine-learning techniques are enabling the creation of interatomic potentials of near ab …
Angular-dependent interatomic potential for large-scale atomistic simulation of iron: Development and comprehensive comparison with existing interatomic models
The development of classical interatomic potential for iron is a quite demanding task with a
long history background. A new interatomic potential for simulation of iron was created with …
long history background. A new interatomic potential for simulation of iron was created with …