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A reversible coarse grained model for truly accurate multiscale simulations

HomeEMMC 2021Virtual Contributions

A reversible coarse grained model for truly accurate multiscale simulations

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https://youtu.be/VOGq9zyn9nE

Open Contributions and Virtual Stands Session

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MaterialX LTD
United Kingdom

MaterialX offers contract research for speed up the R&D of new materials. Our key innovation is an innovative coarse-grained model which can be rerverse mapped to the full atomic structure without loss of information, hence enabling truly accurate multiscale simulations. The software has been developed during the European project EXTMOS and released as an open-source package available in LAMMPS.

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