Extended DeepH (xDeepH) method for magnetic materials.
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Updated
Jun 14, 2023 - Python
Extended DeepH (xDeepH) method for magnetic materials.
Automate Quantum Espresso routines
A compressive-shear biaxial stress field model for analyzing the anisotropic mechanical behavior of crystal (Developed based on Python).
Open-source first-principles computational toolkit for the efficient calculation of the strength of materials in 1D, 2D, and 3D materials at both zero and finite temperatures
Deep neural networks for density functional theory Hamiltonian.
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