Materials Explorer 1.0

Materials Explorer 1.0

Multi-purpose Molecular Dynamics Package for Windows
Organics, polymers, biomolecules, metals, ceramics, semiconductors, etc. Crystals, amorphous solids, liquids and gases (periodic boundaries) Phase transitions, expansion, compressibility, tensile strength, defects, etc.
Easy to use
Point-and-click operation and an intuitive graphical interface make it simple to build assemblies of molecules in a cell, to set up the calculations, and to interpret the results.
Full MD Engine Included
Temperature and pressure-controlled MD simulations are available by employing the Parrinello-Rahman and Nose methods. A velocity-scaling method is also available for controlled temperatures. Both the SHAKE algorithm and the rigid-body treatment can also be applied to molecular systems.