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This is a selected list of freeware video games implemented as traditional executable files that must be downloaded and installed. Freeware games are games that are released as freeware and can be downloaded and played, free of charge, for an unlimited amount of time. This list does not include: Open source games (see List of open-source video ...
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 ...
GAMESS (US) can perform several general computational chemistry calculations, including Hartree–Fock method, density functional theory (DFT), generalized valence bond (GVB), and multi-configurational self-consistent field (MCSCF).
SpaceChem received a free update in late April 2011, which added several new features to the game as well as new puzzles. The patch included support for the ResearchNet puzzle creation and sharing system, and for the Steam-enabled version, support for achievements and leaderboards specific for Steam friends.
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 .
Computer-assisted organic synthesis software is a type of application software used in organic chemistry in tandem with computational chemistry to help facilitate the tasks of designing, predicting, and producing chemical reactions. CAOS aims to identify a series of chemical reactions which, from a starting compound, can produce a desired molecule.