High-performance epoxy systems are extensively used in structural polymer‒matrix composites for aerospace vehicles. The evolution of the thermomechanical properties of these epoxies significantly ...

The analysis of Molecular Dynamics (MD) simulations is most often based on the implicit assumption that the system was in thermodynamic equilibrium. For example, in biomolecular simulations, the ...

More than a hundred experts in molecular simulation have published a paper in the journal Nature Methods calling for a paradigm shift in molecular dynamics data management. The paper, led by Modesto ...