Dynamical simulation of molecular scale systems : methods and applications
Rare-event phenomena are ubiquitous in nature. We propose a new strategy, kappa-dynamics, to model rare event dynamics. In this methodology we only assume that the important rare-event dynamics obey first-order kinetics. Exact rates are not required in the calculation and the reaction path is determ...
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| Format: | Others |
| Language: | English |
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2011
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| Online Access: | http://hdl.handle.net/2152/ETD-UT-2010-12-2151 |