Global ETD Search
Search theses and dissertations gathered from participating repositories worldwide. Every result links back to the library that holds it. No account is needed.
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Showing 1 to 5 of 5 for “"mean first passage times"”.
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Extracting Equilibrium From Nonequilibrium: Free Energy Calculation From Steered Molecular Dynamics Simulations
… explores the issue of calculating potentials of mean force (an equilibrium property) from steered molecular dynamics simulations (a nonequilibrium process). Recently discovered Jarzynski's equality provides the theoretical basis. Derivations of Jarzynski's equality are reviewed and related …
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Extracting Equilibrium From Nonequilibrium: Free Energy Calculation From Steered Molecular Dynamics Simulations
… explores the issue of calculating potentials of mean force (an equilibrium property) from steered molecular dynamics simulations (a nonequilibrium process). Recently discovered Jarzynski’s equality provides the theoretical basis. Derivations of Jarzynski’s equality are reviewed and related …
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On the reaction coordinate optimality for reversible aggregation kinetics
… contribution, we employ a suitable separation of timescales in a way that the more usual energy variable can also be used as a reliable reaction coordinate. In particular, we validate our previously introduced analytical expressions for the aggregation and dilution rates, which are based on the …
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Stochastic Modeling and Simulations of Biological Transport
… of dimensionality reduction but correlation times play a crucial role in the overall search times. Finally, a more general field of stochastic processes, namely first-passage time process is investigated. Explicit expressions of important properties, such as splitting probailities and mean …
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Stochastic dynamics of cell adhesion in hydrodynamic flow
… on modern nanotechnological developments. In the first part the influence of flow rate, as well as of the number and geometry of receptors and ligands, on the probability for initial binding is studied. This is done by determining the mean time that elapses until the first encounter between a …