: 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...
Operations Research is probably one of the most successful fields of applied mathematics used in Economics, Physics, Chemistry, almost everywhere onehastoanalyzehugeamountsofdata.L...
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...
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...
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...