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GAMESS is a computational chemistry software program and stands for General Atomic and Molecular Electronic Structure System.The original Quantum Chemistry Program Exchange (QCPE) code of GAMESS split in 1981 and now the three version differ considerably:
In 1981, the code base split into GAMESS (US) and GAMESS (UK) variants, which now differ significantly. GAMESS (US) is maintained by the members of the Gordon Research Group at Iowa State University. [7] GAMESS (US) source code is available as source-available freeware, but is not open-source software, due to license restrictions.
Quantum chemistry computer programs are used in computational chemistry to implement the methods of quantum chemistry. Most include the Hartree–Fock (HF) and some post-Hartree–Fock methods. They may also include density functional theory (DFT), molecular mechanics or semi-empirical quantum chemistry methods.
Firefly, formerly named PC GAMESS, is an ab initio computational chemistry program for Intel-compatible x86, x86-64 processors based on GAMESS (US) sources. However, it has been mostly rewritten (60-70% of the code), especially in platform-specific parts (memory allocation, disk input/output, network), mathematic functions (e.g., matrix operations), and quantum chemistry methods (such as ...
General Atomic and Molecular Electronic Structure System (GAMESS-UK) is a computer software program for computational chemistry. The original code split in 1981 into GAMESS-UK and GAMESS (US) variants, which now differ significantly. Many of the early developments in the UK version arose from the earlier UK based ATMOL program, which, unlike ...
FormFactor, a relatively small company with a market cap of just $2.62 billion, is an interesting player in the industry as it doesn’t directly develop quantum computers or software.
GAMESS (US), has links to interface VB2000, and XMVB. MOLPRO and MOLCAS include code by David L. Cooper for generating Spin Coupled VB wave functions from CASSCF calculations. VB2000 version 3.0 (released, 2022), by Jiabo Li, Brian Duke, David W. O. de Sousa, Rodrigo S. Bitzer and Roy McWeeny allows the use of Group Function theory, whereby ...
He is a member of The International Academy of Quantum Molecular Science. [ 1 ] Mark Gordon received his B.S. from Rensselaer Polytechnic Institute , followed by a PhD. from Carnegie Mellon [ 1 ] working under the supervision of John Pople , followed by a postdoctoral stint with Klaus Ruedenberg [ de ] at Iowa State University .