Computational Chemistry

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cp2k

Fortran 0 0

hpc material-science quantum-chemistry simulation

Updated 2026-09-25 11:01:41 -04:00

NWChem

Fortran 0 0

NWChem: Open Source High-Performance Computational Chemistry

chemistry computational-chemistry density-functional-theory electronic-structure-calculations hartree-fock molecular-simulation nwchem parallel-computing quantum-chemistry

Updated 2026-09-15 20:51:10 -04:00

cp2k-c

0 1

Updated 2026-06-29 20:37:43 -04:00

NWChem-C

Python 0 1

Updated 2026-06-29 20:37:43 -04:00