dorsal/arxiv
View SchemaTransition Events in Butane Simulations: Similarities Across Models
| Authors | Daniel M. Zuckerman, Thomas B. Woolf |
|---|---|
| Categories | |
| ArXiv ID | physics/0107067 |
| URL | https://arxiv.org/abs/physics/0107067 |
| DOI | 10.1063/1.1433501 |
Abstract
From a variety of long simulations of all-atom butane using both stochastic and fully-solved molecular dynamics, we have uncovered striking generic behavior which also occurs in one-dimensional systems. We find an apparently universal distribution of transition event durations, as well as a characteristic speed profile along the reaction coordinate. An approximate analytic distribution of event durations, derived from a one-dimensional model, correctly predicts the asymptotic behavior of the universal distribution for both short and long durations.
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"abstract": "From a variety of long simulations of all-atom butane using both stochastic\nand fully-solved molecular dynamics, we have uncovered striking generic\nbehavior which also occurs in one-dimensional systems. We find an apparently\nuniversal distribution of transition event durations, as well as a\ncharacteristic speed profile along the reaction coordinate. An approximate\nanalytic distribution of event durations, derived from a one-dimensional model,\ncorrectly predicts the asymptotic behavior of the universal distribution for\nboth short and long durations.",
"arxiv_id": "physics/0107067",
"authors": [
"Daniel M. Zuckerman",
"Thomas B. Woolf"
],
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"physics.chem-ph"
],
"doi": "10.1063/1.1433501",
"title": "Transition Events in Butane Simulations: Similarities Across Models",
"url": "https://arxiv.org/abs/physics/0107067"
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