Ab initioquality neural-network potential for sodium

Graphite-diamond phase coexistence study employing a neural-network mapping of theab initiopotential energy surface

(2010) Rustam Z. Khaliullin et al.   PHYSICAL REVIEW B

PHON: A program to calculate phonons using the small displacement method

(2009) Dario Alfè   COMPUTER PHYSICS COMMUNICATIONS

Application of the embedded atom model to liquid metals: Liquid sodium

(2009) D. K. Belashchenko   HIGH TEMPERATURE

Static and Dynamical Properties of Liquid Water from First Principles by a Novel Car−Parrinello-like Approach

(2009) Thomas D. Kühne et al.   Journal of Chemical Theory and Computation

QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials

(2009) Paolo Giannozzi et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Transparent dense sodium

(2009) Yanming Ma et al.   NATURE

Langevin Equation with Colored Noise for Constant-Temperature Molecular Dynamics Simulations

(2009) Michele Ceriotti et al.   PHYSICAL REVIEW LETTERS

Parametrization of analytic interatomic potential functions using neural networks

(2008) M. Malshe et al.   JOURNAL OF CHEMICAL PHYSICS

Silicon potentials investigated using density functional theory fitted neural networks

(2008) E Sanville et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Effects of Inner-Core 2pStates on Melting Curve and Structure of Dense Sodium at High Pressures

(2008) Aki Yamane et al.   JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN

Origin of bcc to fcc phase transition under pressure in alkali metals

(2008) Y Xie et al.   NEW JOURNAL OF PHYSICS

Pressure-induced phase transitions in silicon studied by neural network-based metadynamics simulations

(2008) Jörg Behler et al.   PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS

Melting of Na at high pressure fromab initiocalculations

(2008) L. Koči et al.   PHYSICAL REVIEW B

Metadynamics Simulations of the High-Pressure Phases of Silicon Employing a High-Dimensional Neural Network Potential

(2008) Jörg Behler et al.   PHYSICAL REVIEW LETTERS

Structural Diversity of Sodium

(2008) E. Gregoryanz et al.   SCIENCE