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Efficient first-principles approach to Gibbs free energy with thermal expansion

Spray-pyrolyzed Cu2BaSnS4 thin films: Integrating experimental synthesis, hybrid DFT, and machine learning to assess photovoltaic potential

Scalable Boltzmann generators for equilibrium sampling of large-scale materials

Physically Interpretable Force Constants Based on Spherical Tensor Expansion: Efficient Parameter Reduction for Low-Symmetry Systems

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