## The string method page

### Publications

##### Zero temperature string method (ZTS) to compute minimum energy paths (MEPs)

- String method for the study of rare events , W. E, W. Ren, and E.~Vanden-Eijnden, Phys. Rev. B: 66, 052301 (2002).
- Simplified and improved string method for computing the minimum energy paths in barrier-crossing events. , W. E, W. Ren, and E. Vanden-Eijnden J. Chem. Phys.: 126,164103 (2007).

##### Zero temperature string method in collective variable space to compute minimum free energy paths (MFEPs)

- String method in collective variables: Minimum free energy paths and isocommittor surfaces, L. Maragliano, A. Fischer, E. Vanden-Eijnden, and G. Ciccotti J. Chem. Phys.: 125,024106 (2006).
- On-the-fly string method for minimum free energy paths calculation , L. Maragliano and E. Vanden-Eijnden Chem. Phys. Lett.: 446,182-190 (2007).

##### Finite temperature string method (FTS)

- Finite temperature string method for the study of rare events W. E, W. Ren, and E. Vanden-Eijnden J. Phys. Chem. B: 109,6688-6693(2005).
- Transition pathways in complex systems: Reaction coordinates, isocommittor surfaces, and transition tubes. , W. E, W. Ren, and E. Vanden-Eijnden Chem. Phys. Lett.: 413, 242-247 (2005).
- Transition pathways in complex systems: Application of the finite-temperature string method to the alanine dipeptide. , W. Ren, E. Vanden-Eijnden, P. Maragakis, and W. E J. Chem. Phys.: 123,134109 (2005).
- Revisiting the finite temperature string method for the calculation of reaction tubes and free energies , E. Vanden-Eijnden and M. Venturoli J. Chem. Phys.: 130,194103 (2009).

### Examples

The movies below show the evolution of the string on the Mueller potential using the zero-temperature string method (ZTS - top movie); and the evolution of the string on a rugged version of the Mueller potential using the finite-temperature string method (FTS - bottom movie). In both cases, there are 10 images along the string.

ZTS converges to the minimum energy path (MEP), which is the transition path of maximum likelihood at zero-temperature; FTS samples the transition tube at finite temperature.