Rare Events, Transition Pathways and Reaction Rates

Introduction Zero-Temperature
String Method
Finite-Temperature
String Method
Modified
String Method
Reference

Theory and methodology

  1. String method for the study of rare Events, Phys. Rev. B66, 052301 (2002)
  2. Higher order string method for finding minimum energy paths,  Comm. Math. Sci.,1,377-384, (2003)
  3. Metastability, conformation dynamics, and transition pathways in complex system, Multiscale Modeling and Simulation, 39, Springer (2004)
  4. Minimal action method for the study of rare eventsCommun. Pure Appl. Math. 57, 637 (2004).
  5. Finite-temperature string method for the study of rare events , J. Phys. Chem.109,6688-6693 (2005)
  6. Transition pathways in complex systems: Reaction coordinates, isocommittor surfaces, and transition TubesChem. Phys. Lett.413, 242 (2005)
  7. Transition pathways in complex systems: Application of the finite-temperature string method to the alanine didpeptideJ. Chem. Phys.,123, 134109 (2005).
  8. Towards a theory of transition paths, J. Stat. Phys.,123(3),503 (2006)
  9. Simplified and improved string method for computing the minimum energy paths in barrier-crossing events, J. Chem. Phys.,126(16),164103 (2007)
  10. Revisiting the finite temperature string method for the calculation of reaction tubes and free energies, J. Chem. Phys.,130(19),194103 (2009)
  11. Transition-Path Theory and Path-Finding Algorithms for the Study of Rare Events, Ann. Rev. Phys. Chem.,61,391 (2010)

Applications

  1. Energy landscape and thermally activated switching of submicron-sized ferromagnetic elements,  J. Appl. Phys.,93,  2275-2282 (2003)
  2. Current dissipation in thin superconducting wires: Accurate numerical evaluation using the String method,  Phys. Rev. B72, 014512(2005)
  3. Solvent coarse-graining and the string method applied to the hydrophobic collapse of a hydrated chain,  Proc. Nat. Acad. Sci.,104,  14559-14564 (2007)
  4. More updated information can be found from Google search

Similar methods/Comparison

  1. Optimization methods for finding minimum energy paths,  J. Chem. Phys., 128,  134106(2008)
  2. Here is some bechmarking done by Graham Henkelman

More references and applications can be found here : WEIQING REN, ERIC VANDEN-EIJNDEN