Long-time molecular dynamics simulations on massively parallel platforms: A comparison of parallel replica dynamics and parallel trajectory splicing

Cluster analysis of accelerated molecular dynamics simulations: A case study of the decahedron to icosahedron transition in Pt nanoparticles

(2017) Rao Huang et al.   JOURNAL OF CHEMICAL PHYSICS

The Modern Temperature-Accelerated Dynamics Approach

(2016) Richard J. Zamora et al.   Annual Review of Chemical and Biomolecular Engineering

The parallel replica dynamics method – Coming of age

(2015) Danny Perez et al.   COMPUTATIONAL MATERIALS SCIENCE

Long-Time Dynamics through Parallel Trajectory Splicing

(2015) Danny Perez et al.   Journal of Chemical Theory and Computation

A local superbasin kinetic Monte Carlo method

(2013) Kristen A. Fichthorn et al.   JOURNAL OF CHEMICAL PHYSICS

Accurate acceleration of kinetic Monte Carlo simulations through the modification of rate constants

(2010) Abhijit Chatterjee et al.   JOURNAL OF CHEMICAL PHYSICS

Kinetic activation-relaxation technique: An off-lattice self-learning kinetic Monte Carlo algorithm

(2008) Fedwa El-Mellouhi et al.   PHYSICAL REVIEW B