Projects

Scientific Software

Updated 9 months ago

Simple DFT-D3 — Peer-reviewed • Rank 14.7 • Science 95%

Simple DFT-D3: Library first implementation of the D3 dispersion correction - Published in JOSS (2024)

ase computational-chemistry dispersion-correction pyscf qcschema quantum-chemistry

Engineering (40%)

Scientific Software · Peer-reviewed

Updated 9 months ago

dftd4 • Rank 15.2 • Science 67%

Generally Applicable Atomic-Charge Dependent London Dispersion Correction

ase computational-chemistry dispersion-correction fortran-package-manager pyscf qcschema quantum-chemistry

Updated 9 months ago

block2 • Rank 14.1 • Science 67%

Efficient parallel quantum chemistry DMRG in MPO formalism

ab-initio bose-hubbard density-matrix-renomalization-group dmrg fermi-hubbard heisenberg-model matrix-product-states mrci pyscf quantum-chemistry tj-model

ecosyste.ms

Data

Tools

Indexes

Applications

Experiments

Open Source Science

Simple DFT-D3 — Peer-reviewed • Rank 14.7 • Science 95%

dftd4 • Rank 15.2 • Science 67%

block2 • Rank 14.1 • Science 67%