Neural network interatomic potential for the phase change material GeTe

A neural network potential-energy surface for the water dimer based on environment-dependent atomic energies and charges

(2012) Tobias Morawietz et al.   JOURNAL OF CHEMICAL PHYSICS

High-dimensional neural network potentials for metal surfaces: A prototype study for copper

(2012) Nongnuch Artrith et al.   PHYSICAL REVIEW B

Design Rules for Phase-Change Materials in Data Storage Applications

(2011) Dominic Lencer et al.   ADVANCED MATERIALS

Effect of carbon doping on the structure of amorphous GeTe phase change material

(2011) G. E. Ghezzi et al.   APPLIED PHYSICS LETTERS

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

(2011) Jörg Behler   JOURNAL OF CHEMICAL PHYSICS

Nucleation mechanism for the direct graphite-to-diamond phase transition

(2011) Rustam Z. Khaliullin et al.   NATURE MATERIALS

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

(2011) Jörg Behler   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

First-principles study of liquid and amorphous InGeTe2

(2011) E. Spreafico et al.   PHYSICAL REVIEW B

Raman spectra of cubic and amorphous Ge2Sb2Te5from first principles

(2011) Gabriele C. Sosso et al.   PHYSICAL REVIEW B

High-dimensional neural-network potentials for multicomponent systems: Applications to zinc oxide

(2011) Nongnuch Artrith et al.   PHYSICAL REVIEW B

Erratum: Signature of Tetrahedral Ge in the Raman Spectrum of Amorphous Phase-Change Materials [Phys. Rev. Lett.104, 085503 (2010)]

(2011) Riccardo Mazzarello et al.   PHYSICAL REVIEW LETTERS

Potential Energy Surfaces Fitted by Artificial Neural Networks

(2010) Chris M. Handley et al.   JOURNAL OF PHYSICAL CHEMISTRY A

First principles study of crystalline and amorphous Ge2Sb2Te5and the effects of stoichiometric defects

(2010) S Caravati et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Ab initioquality neural-network potential for sodium

(2010) Hagai Eshet et al.   PHYSICAL REVIEW B

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

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

First-principles study of liquid and amorphousSb2Te3

(2010) S. Caravati et al.   PHYSICAL REVIEW B

Signature of Tetrahedral Ge in the Raman Spectrum of Amorphous Phase-Change Materials

(2010) Riccardo Mazzarello et al.   PHYSICAL REVIEW LETTERS

Phase Change Materials and Their Application to Nonvolatile Memories

(2009) Simone Raoux et al.   CHEMICAL REVIEWS

First principles study of crystalline and amorphous Ge2Sb2Te5and the effects of stoichiometric defects

(2009) S Caravati et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

First-principles study of crystalline and amorphous Ge2Sb2Te5and the effects of stoichiometric defects

(2009) S Caravati et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

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

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

A map for phase-change materials

(2008) Dominic Lencer et al.   NATURE MATERIALS

Phase-change memories

(2008) Andrea L. Lacaita et al.   PHYSICA STATUS SOLIDI A-APPLICATIONS AND MATERIALS SCIENCE

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

Nonadiabatic effects in the dissociation of oxygen molecules at the Al(111) surface

(2008) Jörg Behler et al.   PHYSICAL REVIEW B

Dynamical, dielectric, and elastic properties of GeTe investigated with first-principles density functional theory

(2008) R. Shaltaf et al.   PHYSICAL REVIEW B

Fingerprints for Spin-Selection Rules in the Interaction Dynamics ofO2at Al(111)

(2008) Christian Carbogno et al.   PHYSICAL REVIEW LETTERS

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

(2008) Jörg Behler et al.   PHYSICAL REVIEW LETTERS

Binary Alloys of Ge and Te: Order, Voids, and the Eutectic Composition

(2008) J. Akola et al.   PHYSICAL REVIEW LETTERS