We present a de novo hierarchical simulation framework for first-principles based predictive simulations of materials and their validation on high-end parallel supercomputers and ...
Aiichiro Nakano, Rajiv K. Kalia, Ken-ichi Nomura, ...
Many programs exploit shared-memory parallelism using multithreading. Threaded codes typically use locks to coordinate access to shared data. In many cases, contention for locks r...
Nathan R. Tallent, John M. Mellor-Crummey, Allan P...
As system integration becomes an increasingly important challenge for complex real-time systems, there has been a significant demand for supporting real-time systems in virtualiz...
Sisu Xi, Justin Wilson, Chenyang Lu, Christopher D...
In this paper we investigate the structure and representation of n-ary algebras arising from DNA recombination, where n is a number of DNA segments participating in recombination. ...
Abstract: A hybrid quantum mechanical/molecular mechanical (QM/MM) potential energy function with HartreeFock, density functional theory (DFT), and post-HF (RIMP2, MP2, CCSD) capab...
H. Lee Woodcock III, Milan Hodoscek, Andrew T. B. ...