On the accurate estimation of free energies using the jarzynski equality
The Jarzynski equality is one of the most widely celebrated and scrutinized nonequilibrium work theorems, relating free energy to the external work performed in nonequilibrium transitions. In practice, the required ensemble average of the Boltzmann weights of infinite nonequilibrium transitions is e...
Guardado en:
Autores principales: | Arrar, M., Boubeta, F.M., Szretter, M.E., Sued, M., Boechi, L., Rodriguez, D. |
---|---|
Formato: | JOUR |
Materias: | |
Acceso en línea: | http://hdl.handle.net/20.500.12110/paper_01928651_v40_n4_p688_Arrar |
Aporte de: |
Ejemplares similares
-
On the accurate estimation of free energies using the jarzynski equality
Publicado: (2019) -
Lessons learned about steered molecular dynamics simulations and free energy calculations
por: Boubeta, F.M., et al. -
Lessons learned about steered molecular dynamics simulations and free energy calculations
Publicado: (2019) -
Robust estimators of accelerated failure time regression with generalized log-gamma errors
Publicado: (2017) -
Robust estimators of accelerated failure time regression with generalized log-gamma errors
por: Agostinelli, C., et al.