An international team led by Einstein Professor Cecilia Clementi in the Department of Physics at Freie Universität Berlin has introduced CGSchNet, a machine-learned coarse-grained (CG) model that can ...
For more than half a century, materials scientists have struggled with how to simulate the complexity of polymer materials. An individual chain can comprise tens of thousands of atoms, a melt or ...
Multiscale coarse-grained model of complete SARS-CoV-2 virion developed for first time using supercomputers. Cooperative motion of coronavirus spike protein simulations likely informative of how virus ...