PSI4
PSI4 is an open-source suite of ab initio quantum chemistry programs designed for efficient, high-accuracy simulations of a variety of molecular properties.
Research Software Portal
Provided by ACCESS
Quantum Chemistry
QuantumEspresso
QuantumEspresso is an integrated suite of Open-Source computer codes for electronic-structure calculations and materials modeling at the nanoscale. It is based on density-functional theory, plane waves, and pseudopotentials.
Gaussian16 available on Bridges
Quantum Chemistry and DFT Software suite.
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ACCESS is an advanced computing and data resource supported by the
National Science Foundation
and made possible through these lead institutions and their partners:
Carnegie Mellon University,
University of Colorado Boulder,
University of Illinois at Urbana-Champaign, and
State University of New York at Buffalo .
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