NonequilibriumQuantumGaussianDynamics

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2 repositories

QuantumGaussianDynamics.jl
Public
QuantumGaussianDynamics is a software package for simulating out-of-equilibrium quantum dynamics in crystalline materials with general potential energy surfaces…
dft first-principles computational-physics phase-transition anharmonicity quantum-molecular-dynamics nonequilibrium-thermodynamics
Julia
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MIT License
•1•4•0•0•Updated Oct 27, 2025Oct 27, 2025
TorchTDSCHA
Public
TorchTDSCHA is a PyTorch-accelerated package for simulating out-of-equilibrium quantum dynamics in crystalline materials with quartic potential energy surfaces.
dft computational-physics ab-initio phase-transition anharmonicity quantum-molecular-dynamics nonequilibrium-thermodynamics
Python
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MIT License
•1•3•0•0•Updated Oct 24, 2025Oct 24, 2025