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» Complexity Limitations on Quantum Computation
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ITIIS
2008
110views more  ITIIS 2008»
13 years 7 months ago
Fast Detection of Distributed Global Scale Network Attack Symptoms and Patterns in High-speed Backbone Networks
Traditional attack detection schemes based on packets or flows have very high computational complexity. And, network based anomaly detection schemes can reduce the complexity, but...
Sun Ho Kim, Byeong-hee Roh
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, ...
ANSS
2006
IEEE
14 years 1 months ago
Grid-Boxing for Spatial Simulation Performance Optimisation
— Computer simulations of complex systems such as physical aggregation processes or swarming and collective behaviour of life-forms, often require order N-squared computational c...
Kenneth A. Hawick, Heath A. James, C. J. Scogings
JMLR
2010
152views more  JMLR 2010»
13 years 2 months ago
Stochastic Composite Likelihood
Maximum likelihood estimators are often of limited practical use due to the intensive computation they require. We propose a family of alternative estimators that maximize a stoch...
Joshua V. Dillon, Guy Lebanon
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. ...