Efficient coarse-grained (CG) molecular dynamics (MD) simulations for large systems over long time scales
Critical phenomena for formulation and chemistry development such as phase separation and liquid structuring can occur at time and length scales that are difficult to access with all-atom (AA) molecular dynamics simulation.
MS CG (Materials Science Coarse-Grained Modeling) is intended for molecular dynamics simulations of larger bulk systems over a more extended period of time than AA models. MS CG provides an infrastructure to draw coarse-grained molecules and map from all-atom to coarse-grained structures, as well as fit and assign coarse-grained force fields.
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High-performance molecular dynamics (MD) engine providing high scalability, throughput, and scientific accuracy
Efficient molecular dynamics (MD) simulation tool for predicting liquid viscosity and diffusions of atoms and molecules
A modern, comprehensive force field for accurate molecular simulations
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