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» Simulating Materials with Strong Correlations on BlueGene L
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IPPS
2010
IEEE
13 years 9 months ago
Parallelization of DQMC simulation for strongly correlated electron systems
Abstract--Determinant Quantum Monte Carlo (DQMC) simulation has been widely used to reveal macroscopic properties of strong correlated materials. However, parallelization of the DQ...
Che-Rung Lee, I-Hsin Chung, Zhaojun Bai
CODES
2005
IEEE
14 years 4 months ago
Blue matter on blue gene/L: massively parallel computation for biomolecular simulation
This paper provides an overview of the Blue Matter application development effort within the Blue Gene project that supports our scientific simulation efforts in the areas of pro...
Robert S. Germain, Blake G. Fitch, Aleksandr Raysh...
IJHPCA
2008
131views more  IJHPCA 2008»
13 years 11 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, ...
BMCBI
2007
120views more  BMCBI 2007»
13 years 11 months ago
Re-sampling strategy to improve the estimation of number of null hypotheses in FDR control under strong correlation structures
Background: When conducting multiple hypothesis tests, it is important to control the number of false positives, or the False Discovery Rate (FDR). However, there is a tradeoff be...
Xin Lu, David L. Perkins