A study introduces TSPIN, a Nosé-Hoover chain framework for spin-lattice dynamics that performs canonical and isothermal-isobaric sampling with one machine-learning potential evaluation per step.
Orbital physics in transition-metal oxides.science, 288(5465):462–468, 2000
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Scalable Canonical and Isothermal-Isobaric Sampling of Coupled Spin-Lattice Systems with Machine-Learning Potentials
A study introduces TSPIN, a Nosé-Hoover chain framework for spin-lattice dynamics that performs canonical and isothermal-isobaric sampling with one machine-learning potential evaluation per step.