This is not a complete list of software sources. Reference to commercial products does not imply endorsement of them by AIChE or the Forum.
Directories and overviews
Software sources
- Etomica, user-friendly software for creating Java implementations of molecular-simulation models and their graphical display using pulldown menus
- Computational chemistry by grid computing: Computational Science and Engineering Online (CSE-Online)
- OCTA mesoscale modeling software (the Doi Project)
- CAChe molecular modeling software, CAChe Group, Fujitsu
- CCP software library for molecular dynamics, Monte Carlo, lattice statics, and lattice dynamics
- ChemFinder WebServer, free from CambridgeSoft
- Chime, free Netscape plugin viewer from MDL Information Systems and a RasMol info page
- COSMOlogic: COSMOtherm, a program for fluid thermodynamics based on quantum chemical calculations
- CPC International Program Library, available by subscription or purchase
- Gaussian 98 quantum chemistry software
- GAMESS computational and visualization software for quantum chemistry, GAMESS-UK, and PC GAMESS
- Online semi-empirical calculations using GAMESS, interface and computation by CambridgeSoft
- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator, Sandia National Lab
- MOLCAD software
- Molden visualization software
- MSI (Accelrys) computational chemistry software, including free WebLab Viewer
- NWChem parallel quantum-chemistry and visualization software
- PSI 2.0 quantum-chemistry program package from Univ. Georgia's Center for Computational Quantum Chemistry
- Quantum Chemistry Program Exchange, Indiana University
- POLYRATE variational transition-state software and solvation software, most with fee-free licenses from U. Minnesota
- Spartan packages for Unix and PowerMacintosh
- XMol, free molecule viewing software from MSCI
