Temperature Accelerated Dynamics

By Justin Riley1, Markus J. Buehler1

1. Massachusetts Institute of Technology (MIT)

Simulate temperature accelerated dynamics

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Version 1.1 - published on 04 Sep 2014

doi:10.4231/D3M61BQ8K cite this

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Abstract

Temperature accelerated dynamics, or TAD, is a method that uses accelerated dynamics at an elevated temperature to generate results at a specified lower temperature. This tool provides a simple user interface for running TAD simulations.

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TAD, Jmol, Python, Rappture

Publications

Arthur F. Voter, Francesco Montalenti and Timothy C. Germann Annual Review of Materials Research, Vol. 32: 321 -346 (Volume publication date August 2002)

Cite this work

Researchers should cite this work as follows:

  • Justin Riley; Markus J. Buehler (2014), "Temperature Accelerated Dynamics," http://nanohub.org/resources/tad. (DOI: 10.4231/D3M61BQ8K).

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Tags

  1. molecular dynamics
  2. temperature-accelerated dynamics
  3. transition state theory