Physics software Physics software ABINIT is a free software package for physicists, distributed under the GNU General Public License, whose main program allows one to find the total energy, charge density, and electronic structure of systems made of electrons and nuclei ( molecules and periodic solids) within Density Functional Theory (DFT), using pseudopotentials, and a plane wave basis. ...more on Wikipedia about "ABINIT"
:This article is about a force field. For more meanings of the word Amber, see Amber (disambiguation). ...more on Wikipedia about "AMBER"
Atompaw is a free software package, distributed under the GNU General Public License. The computer program atompaw generates projector and basis functions which are needed for performing electronic structure calculations based on the projector augmented wave (PAW) method. The program is applicable to materials throughout the periodic table. For each element, the user inputs the atomic number, the electronic configuration, a choice of basis functions, and an augmentation radius. The program produces an output file containing the projector and basis functions and the corresponding matrix elements in a form which can be read be the pwpaw PAW code. Additional data files are also produced which can be used to help evaluate the accuracy and efficiency of the generated functions. ...more on Wikipedia about "Atompaw"
AUTODYN is an explicit software package for non-linear dynamics. It incorporates finite element analysis, computational fluid dynamics, a meshfree (SPH) capability and coupling between these techniques and material physics. ...more on Wikipedia about "AUTODYN"
CASTEP is a commercial software package which uses density functional theory with a plane wave basis set to calculate electronic properties of solids from first principles. ...more on Wikipedia about "CASTEP"
CHARMM (Chemistry at HARvard Macromolecular Mechanics) is a force field for molecular dynamics as well as the name for the molecular dynamics simulation package associated with this force field. The CHARMM Development Project involves a network of developers in the United States and elsewhere working with Martin Karplus and his group at Harvard to develop and maintain the CHARMM program. Licenses for this software are available, for a fee, to people and groups working in academia. ...more on Wikipedia about "CHARMM"
EXCITING is a state-of-the-art full-potential linearized augmented plane wave (FP-LAPW) code which uses quantum mechanics, specifically density functional theory (DFT), to determine the physical properties of solids and molecules. Augmented plane waves provide an almost ideal basis set for computing the Hamiltonian matrix for a periodic solid, and allow for tightly bound core and semi-core electrons to be treated on the same footing as valence electrons. ...more on Wikipedia about "EXCITING"
GEANT is a simulation program designed to describe the passage of elementary particles through matter. Originally developed for high energy physics experiments, today it has uses in many other fields. ...more on Wikipedia about "GEANT (program)"
Geant4 (for GEometry ANd Tracking) is a platform for "the simulation of the passage of particles through matter." It is the most recent in the GEANT series of software toolkits developed by CERN, and the first to use Object oriented programming (in C++). According to its website, "Its application areas include high energy physics and nuclear experiments, medical, accelerator and space physics studies." ...more on Wikipedia about "Geant4"
GROMACS (Groningen Machine for Chemical Simulations) is a molecular dynamics simulation package developed in the University of Groningen. ...more on Wikipedia about "GROMACS"
GROMOS is a force field for molecular dynamics developed at the University of Groningen and the ETH Zurich. GROMOS (currently GROMOS96) is also the name for the molecular dynamics simulation package associated with this force field. ...more on Wikipedia about "GROMOS"
MODTRAN (MODerate resolution atmospheric TRANsmission) is a computer program designed to model atmospheric propagation of electromagnetic radiation from 100-50000 cm-1 with a spectral resolution of 1 cm-1. ...more on Wikipedia about "MODTRAN"
NAMD (Not Another Molecular Dynamics) is a free-of-charge molecular dynamics simulation package developed at the University of Illinois, is noted for its parallel efficiency and often used to simulate large systems (millions of atoms). ...more on Wikipedia about "NAMD"
(Physics Analysis Workstation) It is based on and intended for interoperation with components of cernlib, an extensive collection of Fortran libraries. ...more on Wikipedia about "Physics Analysis Workstation"
PWPAW A Projector Augmented Wave (PAW) code for electronic structure calculation. It is a free software package, distributed under the very liberal GNU General Public License. It is a plane wave implementation of the Projector Augmented Wave (PAW) method developed by Blochl for electronic structure calculations within the framework of density functional theory. In addition to the self-consistent calculation of the electronic structure of a periodic solid, the program has a number of other capabilities, including structural geometry optimization and molecular dynamics simulations within the Born-Oppenheimer approximation. ...more on Wikipedia about "Pwpaw"
PWscf (Plane-Wave Self-Consistent Field) is a set of programs for electronic structure calculations within density functional theory and density functional perturbation theory, using plane wave basis sets and pseudopotentials. The software is released under the GNU General Public License. ...more on Wikipedia about "PWscf"
ROOT is a powerful object oriented data analysis package developed by CERN to replace earlier packages (which include PAW, CERNLIB). It was initiated by René Brun in 1994. ROOT is written in C++, and published under the LGPL. It provides platform independent access to a computer's graphics subsystem and Operating System using abstract layers. Part of the abstract platform are a graphical user interface, container classes, reflection, a command line interpreter ( CINT), and object serialization and persistence. ...more on Wikipedia about "ROOT"
SIESTA (Spanish Initiative for Electronic Simulations with Thousands of Atoms) is an original method and a software implementation for performing electronic structure calculations and ab initio molecular dynamics simulations of molecules and solids. ...more on Wikipedia about "SIESTA"
The Vienna Ab-initio Simulation Package, better known as VASP (or alternatively VAMP), is a package for performing ab-initio quantum mechanical molecular dynamics (MD) using pseudopotentials and a plane wave basis set. VASP is based on CASTEP initially written by Mike Payne at MIT, which was brought to the University of Vienna in Vienna, Austria in July 1989 by Jürgen Hafner. The main program was written by himself, Jürgen Furthmüller, who joined the group at the Institut für Materialphysik in January 1993, and Georg Kresse. ...more on Wikipedia about "Vienna Ab-initio Simulation Package"
* Peter Blaha, Karlheinz Schwarz, Georg K. H. Madsen, Dieter Kvasnicka, Joachim Luitz:
WIEN2k - An Augmented Plane Wave + Local Orbitals Program for Calculating Crystal Properties
Techn. Universität Wien
Getreidemarkt 9/156
A-1060 Wien/Austria
ISBN 3-9501031-1-2 ...more on Wikipedia about "WIEN2k"
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