GAMESS
General Atomic and Molecular Electronic Structure System
Computing Applications (HPC) Proprietary Academic (Partial)
About
An ab initio quantum chemistry package supporting Hartree-Fock, DFT, MP2, coupled cluster, MCSCF, and CI methods for electronic structure calculations, geometry optimizations, and property predictions.
Key Features
- Methods: HF, DFT, MP2, CCSD, MCSCF, CI
- Basis sets: 6-31G, cc-pVXZ, aug-cc-pVXZ
- Properties: NMR, IR, Raman, UV-Vis
- Solvation: PCM, EFP models
Academic license registration required. Currently on hold.
Citation
Schmidt, M.W. et al. General Atomic and Molecular Electronic Structure System. J. Comput. Chem. 14, 1347-1363 (1993). DOI:10.1002/jcc.540141112
Frequently Asked Questions
What is GAMESS?
GAMESS is a computing applications (hpc) application available in the Paramus App Store. An ab initio quantum chemistry package supporting Hartree-Fock, DFT, MP2, coupled cluster, MCSCF, and CI methods for electronic structure calculations, geometry optimizations, and property predictions.
What license does GAMESS require?
GAMESS is distributed under the Proprietary Academic (Partial) license. Commercial use may require a separate license. License compliance is verified during Paramus OS registration.
How do I install GAMESS?
GAMESS is installed through Paramus Chemistry OS, an on-premise Windows platform for computational chemistry. Open the Paramus App Store in your local installation and select GAMESS for one-click deployment.
What are the key features of GAMESS?
Key features of GAMESS include: Methods: HF, DFT, MP2, CCSD, MCSCF, CI; Basis sets: 6-31G, cc-pVXZ, aug-cc-pVXZ; Properties: NMR, IR, Raman, UV-Vis; Solvation: PCM, EFP models.
What type of application is GAMESS?
GAMESS belongs to the “Computing Applications (HPC)” category in the Paramus App Store. It runs on Paramus Chemistry OS and can also be accessed through Paramus Cloud for supported workflows.
What platform does GAMESS run on?
GAMESS runs on Paramus Chemistry OS, a Windows-based on-premise platform that provides local compute power for demanding simulations. It requires a Paramus OS installation with appropriate hardware resources.
Can GAMESS be automated or integrated with AI workflows?
Yes. GAMESS is available as part of the Paramus ecosystem which supports MCP (Model Context Protocol) tools for AI-driven automation. This enables integration with large language models and automated research pipelines.
How should I cite GAMESS in publications?
The recommended citation for GAMESS is: Schmidt, M.W. et al. General Atomic and Molecular Electronic Structure System. J. Comput. Chem. 14, 1347-1363 (1993). DOI:10.1002/jcc.540141112