Large-scale simulations and computational modeling using molecular dynamics (MD) continues to make significant impacts in the field of biology. It is well known that simulations...
Sadaf R. Alam, Jeffrey S. Vetter, Pratul K. Agarwa...
Regression problems on massive data sets are ubiquitous in many application domains including the Internet, earth and space sciences, and finances. In many cases, regression algori...
The ability to perform long, accurate molecular dynamics (MD) simulations involving proteins and other biological macromolecules could in principle provide answers to some of the ...
David E. Shaw, Martin M. Deneroff, Ron O. Dror, Je...
Abstract. Data sets in large applications are often too massive to t completely inside the computer's internal memory. The resulting input output communication or I O between ...
Massively multicore processors, like, for example, Graphics Processing Units (GPUs), provide, at a comparable price, a one order of magnitude higher peak performance than traditio...
Abdullah Gharaibeh, Samer Al-Kiswany, Sathish Gopa...