PSI4 1.0 Available
The 1.0 release contains new features, even more ehancements to user-friendliness and workflow automation, and new access to Wavefunction objects to perform custom computations (Downloads and Release Notes)
Recent PSI4 News |
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A PSI4Education workshop will be held December 19-20 at Georgia Tech. read more
PSI4 Capabilities |
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Coupled Cluster Methods
Large-Scale SAPTn
Response Properties
Analytic Gradients
PSI4 Code Updates |
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turn off plugins testing by default. turn on for travis.
What is 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. We can routinely perform computations with more than 2500 basis functions running serially or in parallel.
Support
Development of Psi and associated projects has been supported in part by the U.S. National Science Foundation under Awards ACI-1609842, CHE-1566192, ACI-1449723, ACI-1450169, CHE-1300497, ACI-1147843.
