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JCC
2010
116views more  JCC 2010»
14 years 8 months ago
A comment to the nudged elastic band method
: The minimum energy path (MEP) is an important reaction path concept of theoretical chemistry, and the nudged elastic band (NEB) method with its many facets is a central method to...
Wolfgang Quapp, Josep Maria Bofill
ANOR
2010
139views more  ANOR 2010»
14 years 8 months ago
Some operations research methods for analyzing protein sequences and structures
Operations Research is probably one of the most successful fields of applied mathematics used in Economics, Physics, Chemistry, almost everywhere onehastoanalyzehugeamountsofdata.L...
Piotr Lukasiak, Jacek Blazewicz, Maciej Milostan
NHM
2010
104views more  NHM 2010»
14 years 4 months ago
Modeling multiphase non-Newtonian polymer flow in IPARS parallel framework
With the depletion of oil reserves and increase in oil price, the enhanced oil recovery methods such as polymer flooding to increase oil production from waterflooded fields are bec...
Changli Yuan, Mojdeh Delshad, Mary F. Wheeler
PROCEDIA
2010
140views more  PROCEDIA 2010»
14 years 4 months ago
Theoretical enzyme design using the Kepler scientific workflows on the Grid
One of the greatest challenges in computational chemistry is the design of enzymes to catalyze non-natural chemical reactions. We focus on harnessing the distributed parallel comp...
Jianwu Wang, Prakashan Korambath, Seonah Kim, Scot...
ECCV
2002
Springer
15 years 11 months ago
Building Roadmaps of Local Minima of Visual Models
Getting trapped in suboptimal local minima is a perennial problem in model based vision, especially in applications like monocular human body tracking where complex nonlinear para...
Cristian Sminchisescu, Bill Triggs