Category:計算化学ソフトウェア

Winmostar

Avogadro (software)

Gaussian (software)

MOPAC

ABINIT

TURBOMOLE

Spartan (chemistry software)

Scigress

AMPAC

Dirac (software)

GAMESS

Amsterdam Density Functional

CRYSTAL (software)

Firefly (computer program)

GAMESS (UK)

GAMESS (US)

Open Babel

ORCA (quantum chemistry program)

PSI (computational chemistry)

Quantum ESPRESSO

Vienna Ab initio Simulation Package

CHELPG

CP2K