Software


For modelleing and simulations we use both commercial software, freeware and simulation code written by ourselves. For our own coding we mostly use matlab, fortran and visual basic but also python, C, C++, pascal, labview, etc. Our program MonteLab is available from here.

 

Commercial software


We have experience of for instance the following commercial programs:

Comsol Multiphysics
Program using Finite Element Method for solving partial differential equations and Computational fluid dynamics
www.comsol.com

Gaussian
Quantum chemistry
www.gaussian.com

Mathematica
Program for symbolic calculations
www.wolfram.com

Schrödinger
Quantum chemistry
www.schrodinger.com

 

Freeware


We have experience of for instance the following freeware:

Quantum Espresso
Code for electronic-structure calculations and materials modeling at the nanoscale, based on density-functional theory, plane waves, and pseudopotentials.
www.quantum-espresso.org

MDynaMix
Molecular Dynamics simulation program
people.su.se/~lyuba/mdynamix/MDynaMix.html

 CPMD = Car-Parinello Molecular Dynamics
Simulation program
www.cpmd.org

BOSS = Biochemical and Organic Simulation System
Simulation program for organic liquids and solutions
zarbi.chem.yale.edu/products/boss/index.shtml

 

 


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