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Generally Applicable Atomic-Charge Dependent London Dispersion Correction
Created
2019-02-28
231 commits to main branch, last one 7 days ago
GradDFT is a JAX-based library enabling the differentiable design and experimentation of exchange-correlation functionals using machine learning techniques.
Created
2023-05-15
419 commits to main branch, last one about a year ago
Efficient parallel quantum chemistry DMRG in MPO formalism
Created
2021-03-10
1,622 commits to master branch, last one 2 days ago
Quantum computational chemistry based on TensorCircuit
Created
2023-03-18
36 commits to master branch, last one 4 months ago
Library first implementation of the D3 dispersion correction
Created
2019-11-09
129 commits to main branch, last one 7 days ago