The objective of Molecular Dynamics (MD) simulations is to determine the shape of a molecule in a given biomolecular environment. These simulations are very demanding computationa...
Molecular Dynamics applications enhance our understanding of biological phenomena through bio-molecular simulations. Large-scale parallelization of MD simulations is challenging b...
We present a distributed framework that enables real-time streaming and visualization of data generated by large remote simulations. We address issues arising from distributed cli...
Valerio Pascucci, Daniel E. Laney, Ray J. Frank, F...
A scalable parallel algorithm has been designed to study long-time dynamics of many-atom systems based on the nudged elastic band method, which performs mutually constrained molec...
We investigate self-gravitational collapse of magnetized molecular cloud cores and formation of the outflow. We employ a nested grid in order to resolve fine structures of protost...
Tomoaki Matsumoto, Masahiro N. Machida, Kohji Tomi...