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PhET Interactive Simulations is part of the University of Colorado Boulder which is a member of the Association of American Universities. [10] The team changes over time and has about 16 members consisting of professors, post-doctoral students, researchers, education specialists, software engineers (sometimes contractors), educators, and administrative assistants. [11]
List of chemical process simulators. This is a list of software used to simulate the material and energy balances of chemical process plants. Applications for this include design studies, engineering studies, design audits, debottlenecking studies, control system check-out, process simulation, dynamic simulation, operator training simulators ...
Computational chemistry is a branch of chemistry that uses computer simulations to assist in solving chemical problems. [ 2 ] It uses methods of theoretical chemistry incorporated into computer programs to calculate the structures and properties of molecules, groups of molecules, and solids. [ 3 ]
Website. www.lammps.org. Large-scale Atomic/Molecular Massively Parallel Simulator (LAMMPS) is a molecular dynamics program from Sandia National Laboratories. [1] LAMMPS makes use of Message Passing Interface (MPI) for parallel communication and is free and open-source software, distributed under the terms of the GNU General Public License. [1]
Free or open-source. Advanced Simulation Library - open-source hardware accelerated multiphysics simulation software. ASCEND - open-source equation-based modelling environment. Cantera - chemical kinetics package. Celestia - a 3D astronomy program. CP2K - Open-source ab-initio molecular dynamics program.
Comparison of software for molecular mechanics modeling. This is a list of computer programs that are predominantly used for molecular mechanics calculations. Biomolecular simulations, protein folding. Commercial version with multiple graphical front ends is sold by BIOVIA (as CHARMm), formerly Accelrys. Chemical reaction kinetics.