Simulating the interactions between atoms and molecules is important for many scientific studies. However, accurate simulations can take a long time, which limits their use. To speed up simulations ...

The electronic structure, atomistic simulation, and experimental data work together for the parametrization of an efficient CG model. In recent years, data-driven machine learning techniques have ...

Researchers introduce a new computational framework to predict the details of protein folding and other dynamic molecular processes. Computational models have come a long way in their ability to ...

Learn how fine-grained parallelism simulation technology enables delivery of breakthrough parallel simulation performance improvement needed to reduce turn-around time for critical-path tests.