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16 relations: BSD licenses, Electron density, Firefly (computer program), GAMESS (US), Gaussian (software), List of molecular graphics systems, List of quantum chemistry and solid-state physics software, MOLCAS, Molecular modelling, Molecular orbital, MOLPRO, MOPAC, MPQC, ORCA (quantum chemistry program), Q-Chem, SAMSON.
BSD licenses
BSD licenses are a family of permissive free software licenses, imposing minimal restrictions on the use and redistribution of covered software.
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Electron density
Electron density is the measure of the probability of an electron being present at a specific location.
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Firefly (computer program)
Firefly, formerly named PC GAMESS, is an ab initio computational chemistry program for Intel-compatible x86, x86-64 processors based on GAMESS (US) sources.
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GAMESS (US)
General Atomic and Molecular Electronic Structure System (GAMESS (US)) is computer software for computational chemistry program.
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Gaussian (software)
Gaussian is a general purpose computational chemistry software package initially released in 1970 by John Pople and his research group at Carnegie Mellon University as Gaussian 70.
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List of molecular graphics systems
This is a list of software systems that are used for visualizing macromolecules.
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List of quantum chemistry and solid-state physics software
Quantum chemistry computer programs are used in computational chemistry to implement the methods of quantum chemistry.
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MOLCAS
MOLCAS is an ab initio computational chemistry program, developed as a joint project by a number of international institutes.
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Molecular modelling
Molecular modelling encompasses all methods, theoretical and computational, used to model or mimic the behaviour of molecules.
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Molecular orbital
In chemistry, a molecular orbital (MO) is a mathematical function describing the wave-like behavior of an electron in a molecule.
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MOLPRO
MOLPRO is a software package used for accurate ab initio quantum chemistry calculations.
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MOPAC
MOPAC is a popular computer program used in computational chemistry.
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MPQC
MPQC (Massively Parallel Quantum Chemistry) is an ab initio computational chemistry software program.
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ORCA (quantum chemistry program)
ORCA is an ab initio quantum chemistry program package that contains modern electronic structure methods including density functional theory, many-body perturbation, coupled cluster, multireference methods, and semi-empirical quantum chemistry methods.
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Q-Chem
Q-Chem is a general-purpose electronic structure package featuring a variety of established and new methods implemented using innovative algorithms that enable fast calculations of large systems on regular lab workstations using density functional and wave-function based approaches.
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SAMSON
SAMSON (Software for Adaptive Modeling and Simulation Of Nanosystems) is a computer software platform for computational nanoscience being developed by the NANO-D group at the French Institute for Research in Computer Science and Automation (INRIA).
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