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» On the Complexity of Quantum ACC
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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, ...
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. ...
JETAI
2007
131views more  JETAI 2007»
13 years 7 months ago
A computational architecture for heterogeneous reasoning
Reasoning, problem solving, indeed the general process of acquiring knowledge, is not an isolated, homogenous affair involving a one agent using a single form of representation, b...
Dave Barker-Plummer, John Etchemendy
PRESENCE
2000
92views more  PRESENCE 2000»
13 years 7 months ago
Virtual Explorer: Interactive Virtual Environment for Education
The Virtual Explorer project of the Senses Bureau at the University of California, San Diego, focuses on creating immersive, highly interactive environments for education and scie...
Kevin L. Dean, Xyler S. Asay-Davis, Evan M. Finn, ...
SCFBM
2008
107views more  SCFBM 2008»
13 years 7 months ago
Microbial Diagnostic Array Workstation (MDAW): a web server for diagnostic array data storage, sharing and analysis
Background: Microarrays are becoming a very popular tool for microbial detection and diagnostics. Although these diagnostic arrays are much simpler when compared to the traditiona...
Joy Scaria, Aswathy Sreedharan, Yung-Fu Chang