Rare Events, Transition Pathways and Reaction Rates
Introduction
Zero-Temperature
String Method
Finite-Temperature
String Method
Modified
String Method
Reference
Theory and methodology
String method for the study of rare Events
, Phys. Rev. B
,
66
, 052301 (2002)
Higher order string method for finding minimum energy paths
, Comm. Math. Sci.,
1
,377-384, (2003)
Metastability, conformation dynamics, and transition pathways in complex system,
Multiscale Modeling and Simulation
,
39
, Springer (2004)
Minimal action method for the study of rare events
,
Commun. Pure Appl. Math.
57
, 637 (2004).
Finite-temperature string method for the study of rare events
, J. Phys. Chem.
,
109
,6688-6693 (2005)
Transition pathways in complex systems: Reaction coordinates, isocommittor surfaces, and transition Tubes
,
Chem. Phys. Lett.
413
, 242 (2005)
Transition pathways in complex systems: Application of the finite-temperature string method to the alanine didpeptide
,
J. Chem. Phys.,
123
, 134109 (2005).
Towards a theory of transition paths
, J. Stat. Phys.,
123
(3),503 (2006)
Simplified and improved string method for computing the minimum energy paths in barrier-crossing events
, J. Chem. Phys.,
126
(16),164103 (2007)
Revisiting the finite temperature string method for the calculation of reaction tubes and free energies
, J. Chem. Phys.,
130
(19),194103 (2009)
Transition-Path Theory and Path-Finding Algorithms for the Study of Rare Events
, Ann. Rev. Phys. Chem.,
61
,391 (2010)
Applications
Energy landscape and thermally activated switching of submicron-sized ferromagnetic elements
, J. Appl. Phys.,
93,
2275-2282
(2003)
Current dissipation in thin superconducting wires: Accurate numerical evaluation using the String method
, Phys. Rev. B
,
72,
014512(2005)
Solvent coarse-graining and the string method applied to the hydrophobic collapse of a hydrated chain
, Proc. Nat. Acad. Sci.,
104,
14559-14564
(2007)
More updated information can be found from Google search
Similar methods/Comparison
Optimization methods for finding minimum energy paths
, J. Chem. Phys.,
128,
134106(2008)
Here is some
bechmarking
done by Graham Henkelman
More references and applications can be found here :
WEIQING REN
,
ERIC VANDEN-EIJNDEN