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Data-driven chemistry / data driven chemistry 25-26
Creative Commons Attribution 4.0 InternationalUpdated -
Tadah / Tadah.LAMMPS
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Tadah / CORE
GNU General Public License v3.0 or laterUpdated -
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Ab Initio Augmented Structure Solving Engine
Hybrid methodology combining Empirical Potential-based Structure Refinement (EPSR) fitting of total scattering data with first-principles quantum mechanical calculations (Density Functional Theory).
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Benedict Tan / data driven chemistry 25-26
Creative Commons Attribution 4.0 InternationalUpdated -
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