Building a kinetic Monte Carlo model with a chosen accuracy

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

(2013) Vijesh J. Bhute et al.   JOURNAL OF CHEMICAL PHYSICS

A cluster expansion model for predicting activation barrier of atomic processes

(2013) Tafizur Rehman et al.   JOURNAL OF COMPUTATIONAL PHYSICS

A cluster expansion model for rate constants of surface diffusion processes on Ag, Al, Cu, Ni, Pd and Pt(100) surfaces

(2013) Sumit Verma et al.   SURFACE SCIENCE

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

(2011) Dhrubajit Konwar 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

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

Adaptive kinetic Monte Carlo for first-principles accelerated dynamics

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