Multithermal-Multibaric Molecular Simulations from a Variational Principle

Combining Metadynamics and Integrated Tempering Sampling

(2018) Yi Isaac Yang et al.   Journal of Physical Chemistry Letters

Solid-liquid interface free energies of pure bcc metals and B2 phases

(2015) S. R. Wilson et al.   JOURNAL OF CHEMICAL PHYSICS

Well-Tempered Variational Approach to Enhanced Sampling

(2015) Omar Valsson et al.   Journal of Chemical Theory and Computation

Variational Approach to Enhanced Sampling and Free Energy Calculations

(2014) Omar Valsson et al.   PHYSICAL REVIEW LETTERS

PLUMED 2: New feathers for an old bird

(2013) Gareth A. Tribello et al.   COMPUTER PHYSICS COMMUNICATIONS

Thermodynamical Description of a Quasi-First-Order Phase Transition from the Well-Tempered Ensemble

(2013) Omar Valsson et al.   Journal of Chemical Theory and Computation

Efficient Sampling of Atomic Configurational Spaces

(2010) Lívia B. Pártay et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Enhanced Sampling in the Well-Tempered Ensemble

(2010) M. Bonomi et al.   PHYSICAL REVIEW LETTERS

An integrate-over-temperature approach for enhanced sampling

(2008) Yi Qin Gao   JOURNAL OF CHEMICAL PHYSICS

P-LINCS:  A Parallel Linear Constraint Solver for Molecular Simulation

(2007) Berk Hess   Journal of Chemical Theory and Computation