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121
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ISVD
2010
IEEE
14 years 8 months ago
Hydration Shells in Voronoi Tessellations
An interesting property of the Voronoi tessellation is studied in the context of its application to the analysis of hydration shells in computer simulation of solutions. Namely the...
V. P. Voloshin, Alexey V. Anikeenko, Nikolai N. Me...
133
Voted
IPPS
1997
IEEE
15 years 2 months ago
DPF: A Data Parallel Fortran Benchmark Suite
We present the Data Parallel Fortran (DPF) benchmark suite, a set of data parallel Fortran codes forevaluatingdata parallel compilers appropriatefor any target parallel architectu...
Y. Charlie Hu, S. Lennart Johnsson, Dimitris Kehag...
84
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CONCURRENCY
1998
115views more  CONCURRENCY 1998»
14 years 10 months ago
Falcon: On-line monitoring for steering parallel programs
Abstract Advances in high performance computing, communications, and user interfaces enable developers to construct increasingly interactive high performance applications. The Falc...
Weiming Gu, Greg Eisenhauer, Karsten Schwan, Jeffr...
91
Voted
MMAS
2010
Springer
14 years 5 months ago
Global Energy Matching Method for Atomistic-to-Continuum Modeling of Self-Assembling Biopolymer Aggregates
This paper studies mathematical models of biopolymer supramolecular aggregates that are formed by the self-assembly of single monomers. We develop a new multiscale numerical appro...
Lei Zhang, Leonid Berlyand, Maxim V. Fedorov, Houm...
104
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ALMOB
2007
170views more  ALMOB 2007»
14 years 10 months ago
A spatio-temporal mining approach towards summarizing and analyzing protein folding trajectories
Understanding the protein folding mechanism remains a grand challenge in structural biology. In the past several years, computational theories in molecular dynamics have been empl...
Hui Yang, Srinivasan Parthasarathy, Duygu Ucar