MatterSim-MT is a foundation model pretrained on over 35 million first-principles structures that predicts material structure, dynamics, and thermodynamics while enabling multi-task simulations of phonon splitting, ferroelectric hysteresis, and redox transitions.
Nosé, A unified formulation of the constant temperature molecular dynamics methods
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MatterSim-MT: A multi-task foundation model for in silico materials characterization
MatterSim-MT is a foundation model pretrained on over 35 million first-principles structures that predicts material structure, dynamics, and thermodynamics while enabling multi-task simulations of phonon splitting, ferroelectric hysteresis, and redox transitions.