Theory and methods for rare events

Temperature accelerated Monte Carlo (TAMC): a method for sampling the free energy surface of non-analytical collective variables

(2011) Giovanni Ciccotti et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Hydrodynamics from statistical mechanics: combined dynamical-NEMD and conditional sampling to relax an interface between two immiscible liquids

(2011) Sergio Orlandini et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Markovian milestoning with Voronoi tessellations

(2009) Eric Vanden-Eijnden et al.   JOURNAL OF CHEMICAL PHYSICS

Exact rate calculations by trajectory parallelization and tilting

(2009) Eric Vanden-Eijnden et al.   JOURNAL OF CHEMICAL PHYSICS

Mapping the Network of Pathways of CO Diffusion in Myoglobin

(2009) Luca Maragliano et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Modified single sweep method for reconstructing free-energy landscapes

(2009) M. Monteferrante et al.   MOLECULAR SIMULATION

Single-sweep methods for free energy calculations

(2008) Luca Maragliano et al.   JOURNAL OF CHEMICAL PHYSICS

On the assumptions underlying milestoning

(2008) Eric Vanden-Eijnden et al.   JOURNAL OF CHEMICAL PHYSICS

Calculations of free energy barriers for local mechanisms of hydrogen diffusion in alanates

(2008) Michele Monteferrante et al.