Neural networks for local structure detection in polymorphic systems

Homogeneous Ice Nucleation at Moderate Supercooling from Molecular Simulation

(2013) E. Sanz et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Local order parameters for use in driving homogeneous ice nucleation with all-atom models of water

(2012) Aleks Reinhardt et al.   JOURNAL OF CHEMICAL PHYSICS

Free energy landscapes for homogeneous nucleation of ice for a monatomic water model

(2012) Aleks Reinhardt et al.   JOURNAL OF CHEMICAL PHYSICS

Atom-centered symmetry functions for constructing high-dimensional neural network potentials

(2011) Jörg Behler   JOURNAL OF CHEMICAL PHYSICS

Homogeneous ice nucleation from supercooled water

(2011) Tianshu Li et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Neural network potential-energy surfaces in chemistry: a tool for large-scale simulations

(2011) Jörg Behler   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Simulating water with rigid non-polarizable models: a general perspective

(2011) Carlos Vega et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Role of the Prestructured Surface Cloud in Crystal Nucleation

(2011) Wolfgang Lechner et al.   PHYSICAL REVIEW LETTERS

NVIDIA Tesla: A Unified Graphics and Computing Architecture

(2008) Erik Lindholm et al.   IEEE MICRO

New Lennard-Jones metastable phase

(2008) Hagai Eshet et al.   JOURNAL OF CHEMICAL PHYSICS

Metadynamics simulations of ice nucleation and growth

(2008) D. Quigley et al.   JOURNAL OF CHEMICAL PHYSICS

Accurate determination of crystal structures based on averaged local bond order parameters

(2008) Wolfgang Lechner et al.   JOURNAL OF CHEMICAL PHYSICS

Water Modeled As an Intermediate Element between Carbon and Silicon†

(2008) Valeria Molinero et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Challenges in molecular simulation of homogeneous ice nucleation

(2008) Andrey V Brukhno et al.   JOURNAL OF PHYSICS-CONDENSED MATTER