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» An Introduction to Quantum Computing
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IJHPCA
2008
131views more  IJHPCA 2008»
13 years 7 months ago
De Novo Ultrascale Atomistic Simulations On High-End Parallel Supercomputers
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, ...
PPOPP
2010
ACM
13 years 6 months ago
Analyzing lock contention in multithreaded applications
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...
EMSOFT
2011
Springer
12 years 7 months ago
RT-Xen: towards real-time hypervisor scheduling in xen
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...
BICOB
2010
Springer
14 years 13 days ago
Algebraic Theory of DNA Recombination
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. ...
Sergei R. Sverchkov
JCC
2007
79views more  JCC 2007»
13 years 7 months ago
Interfacing Q-Chem and CHARMM to perform QM/MM reaction path calculations
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. ...