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
strength-of-materials
first-principles-calculations
first-principles-molecular-dynamics
ab-initio-simulations
tensile-test-data-analysis
energy-storage-capacity
indentation-strength
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Updated
May 19, 2024 - Python