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Materials Explorer

Release 5.0 was the last version of Materials Explorer. Materials Explorer was integrated into new suite: SCIGRESS and no longer exists as a separate product. In case of any questions, please contact us at ccs@fqs.pl.

Materials Explorer provides vast and customizable modeling functions that allow precise control of simulation parameters of advanced molecular dynamics simulation methods that introduce an impressive set of real-world variables and conditions to in silico materials experiments.
Materials Explorer enables users to set the simulation conditions, such as the number of simulation steps, the ensemble, and potentials, and take complete control of their modeling environment. Users can create their own templates for simulated systems and conditions, as well as set potential assignment rules.

Materials Explorer is backed by extensive analysis utilities and comprehensive library of published potentials and models to create accurate and flexible representations of materials for real-world applications. Materials Explorer enables powerful modeling and analytical capabilities for the full spectrum of molecular dynamics, including:

  • Inorganics, metals, oxides, ceramics, semiconductors, organics, polymers, biomolecules, proteins.

  • Crystals, amorphous solids, liquids and gases (with periodic boundary conditions).

  • Phase transitions, expansion, defects, compressibility, tensile strength, adsorption, absorption, thermal conductivity.

Ready for large systems Materials Explorer can easily interface with large-scale multiprocessor servers to run high performance calculations for very large systems. Highly parallelized MD module options are available for such applications.