Accuracy of a Markov state model generated by searching for basin escape pathways

An off-lattice, self-learning kinetic Monte Carlo method using local environments

(2011) Dhrubajit Konwar et al.   JOURNAL OF CHEMICAL PHYSICS

Markov models of molecular kinetics: Generation and validation

(2011) Jan-Hendrik Prinz et al.   JOURNAL OF CHEMICAL PHYSICS

Kinetic activation-relaxation technique

(2011) Laurent Karim Béland et al.   PHYSICAL REVIEW E

Network models for molecular kinetics and their initial applications to human health

(2010) Gregory R Bowman et al.   CELL RESEARCH

Mechanisms of atomic diffusion on the flat, stepped, and faceted surfaces of Al(110)

(2010) Yogesh Tiwary et al.   PHYSICAL REVIEW B

Protein folded states are kinetic hubs

(2010) G. R. Bowman et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Progress and challenges in the automated construction of Markov state models for full protein systems

(2009) Gregory R. Bowman et al.   JOURNAL OF CHEMICAL PHYSICS

Off-lattice self-learning kinetic Monte Carlo: application to 2D cluster diffusion on the fcc(111) surface

(2009) Abdelkader Kara et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Atomic jumps during surface diffusion

(2009) J. Ferrón et al.   PHYSICAL REVIEW B

Adaptive kinetic Monte Carlo for first-principles accelerated dynamics

(2008) Lijun Xu et al.   JOURNAL OF CHEMICAL PHYSICS