8000 hartree-fock · GitHub Topics · GitHub

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hartree-fock

Here are 4 public repositories matching this topic...

merzlab / QUICK

QUICK: A GPU-enabled ab intio quantum chemistry software package

chemistry gpu parallel-computing cuda density-functional-theory computational-chemistry gpu-acceleration quantum-chemistry hartree-fock electronic-structure-calculations

Updated May 5, 2025
C

microsoft / LightAIMD

A lightweight ab initio molecular dynamics simulation program

simulation molecular-dynamics density-functional-theory hartree-fock aimd

Updated Apr 5, 2024
C

ryuikaneko / codes_for_my_publications

monte-carlo computational-physics hartree-fock vmc kitaev variational-monte-carlo kitaev-model

Updated Oct 28, 2022
C

teepanis / siam-quantum

Siam Quantum: a compact open-source quantum simulation program

density-functional-theory quantum-chemistry hartree-fock exchange-correlation-functionals quantum-molecular-dynamics

Updated Sep 11, 2023
C

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