相关参考文献
注意：仅列出部分参考文献，下载原文获取全部文献信息。Self-Diffusion of Surface Defects at Copper-Water Interfaces
Suresh Kondati Natarajan et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2017)
An implementation of artificial neural-network potentials for atomistic materials simulations: Performance for TiO2
Nongnuch Artrith et al.
COMPUTATIONAL MATERIALS SCIENCE (2016)
Perspective: Machine learning potentials for atomistic simulations
Joerg Behler
JOURNAL OF CHEMICAL PHYSICS (2016)
First-principles calculations on structure and properties of amorphous Li5P4O8N3 (LiPON)
Sabrina Sicolo et al.
JOURNAL OF POWER SOURCES (2016)
Lithium diffusion coefficient in amorphous lithium phosphate thin films measured by secondary ion mass spectroscopy with isotope exchange methods
Naoaki Kuwata et al.
SOLID STATE IONICS (2016)
Computational studies of solid-state alkali conduction in rechargeable alkali-ion batteries
Zhi Deng et al.
NPG ASIA MATERIALS (2016)
Computational understanding of Li-ion batteries
Alexander Urban et al.
NPJ COMPUTATIONAL MATERIALS (2016)
Grand canonical molecular dynamics simulations of Cu-Au nanoalloys in thermal equilibrium using reactive ANN potentials
Nongnuch Artrith et al.
COMPUTATIONAL MATERIALS SCIENCE (2015)
Constructing high-dimensional neural network potentials: A tutorial review
Joerg Behler
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY (2015)
Stability and migration of small copper clusters in amorphous dielectrics
David M. Guzman et al.
JOURNAL OF APPLIED PHYSICS (2015)
Estimating Error in Diffusion Coefficients Derived from Molecular Dynamics Simulations
Gaurav Pranami et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2015)
Structural and Mechanistic Insights into Fast Lithium-Ion Conduction in Li4SiO4-Li3PO4 Solid Electrolytes
Yue Deng et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2015)
Atomic origin of ultrafast resistance switching in nanoscale electrometallization cells
Nicolas Onofrio et al.
NATURE MATERIALS (2015)
Representing the potential-energy surface of protonated water clusters by high-dimensional neural network potentials
Suresh Kondati Natarajan et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2015)
First-principles interatomic potentials for ten elemental metals via compressed sensing
Atsuto Seko et al.
PHYSICAL REVIEW B (2015)
Understanding the Composition and Activity of Electrocatalytic Nanoalloys in Aqueous Solvents: A Combination of DFT and Accurate Neural Network Potentials
Nongnuch Artrith et al.
NANO LETTERS (2014)
Sparse representation for a potential energy surface
Atsuto Seko et al.
PHYSICAL REVIEW B (2014)
Unlocking the Potential of Cation-Disordered Oxides for Rechargeable Lithium Batteries
Jinhyuk Lee et al.
SCIENCE (2014)
Lithium Transport in Amorphous Al2O3 and AlF3 for Discovery of Battery Coatings
Shiqiang Hao et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2013)
Neural network potentials for metals and oxides - First applications to copper clusters at zinc oxide
Nongnuch Artrith et al.
PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS (2013)
A neural network potential-energy surface for the water dimer based on environment-dependent atomic energies and charges
Tobias Morawietz et al.
JOURNAL OF CHEMICAL PHYSICS (2012)
Construction of high-dimensional neural network potentials using environment-dependent atom pairs
K. V. Jovan Jose et al.
JOURNAL OF CHEMICAL PHYSICS (2012)
Diffusion of Lithium in Bulk Amorphous Silicon: A Theoretical Study
Georgios A. Tritsaris et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2012)
High-dimensional neural network potentials for metal surfaces: A prototype study for copper
Nongnuch Artrith et al.
PHYSICAL REVIEW B (2012)
Neural network interatomic potential for the phase change material GeTe
Gabriele C. Sosso et al.
PHYSICAL REVIEW B (2012)
Fast and Accurate Modeling of Molecular Atomization Energies with Machine Learning
Matthias Rupp et al.
PHYSICAL REVIEW LETTERS (2012)
Modeling Of Copper Diffusion In Amorphous Aluminum Oxide in CBRAM Stack
K. Sankaran et al.
DIELECTRICS FOR NANOSYSTEMS 5: MATERIALS SCIENCE, PROCESSING, RELIABILITY, AND MANUFACTURING -AND-TUTORIALS IN NANOTECHNOLOGY: MORE THAN MOORE - BEYOND CMOS EMERGING MATERIALS AND DEVICES (2012)
Atom-centered symmetry functions for constructing high-dimensional neural network potentials
Joerg Behler
JOURNAL OF CHEMICAL PHYSICS (2011)
The Mixing Mechanism during Lithiation of Si Negative Electrode in Li-Ion Batteries: An Ab lnitio Molecular Dynamics Study
Priya Johari et al.
NANO LETTERS (2011)
Nucleation mechanism for the direct graphite-to-diamond phase transition
Rustam Z. Khaliullin et al.
NATURE MATERIALS (2011)
High-dimensional neural-network potentials for multicomponent systems: Applications to zinc oxide
Nongnuch Artrith et al.
PHYSICAL REVIEW B (2011)
Characterization of Thin-Film Lithium Batteries with Stable Thin-Film Li3PO4 Solid Electrolytes Fabricated by ArF Excimer Laser Deposition
Naoaki Kuwata et al.
JOURNAL OF THE ELECTROCHEMICAL SOCIETY (2010)
Ab initio quality neural-network potential for sodium
Hagai Eshet et al.
PHYSICAL REVIEW B (2010)
First-principles study of LiPON and related solid electrolytes
Yaojun A. Du et al.
PHYSICAL REVIEW B (2010)
Graphite-diamond phase coexistence study employing a neural-network mapping of the ab initio potential energy surface
Rustam Z. Khaliullin et al.
PHYSICAL REVIEW B (2010)
Gaussian Approximation Potentials: The Accuracy of Quantum Mechanics, without the Electrons
Albert P. Bartok et al.
PHYSICAL REVIEW LETTERS (2010)
Development of generalized potential-energy surfaces using many-body expansions, neural networks, and moiety energy approximations
M. Malshe et al.
JOURNAL OF CHEMICAL PHYSICS (2009)
Simultaneous fitting of a potential-energy surface and its corresponding force fields using feedforward neural networks
A. Pukrittayakamee et al.
JOURNAL OF CHEMICAL PHYSICS (2009)
Parametrization of analytic interatomic potential functions using neural networks
M. Malshe et al.
JOURNAL OF CHEMICAL PHYSICS (2008)
Issue and challenges facing rechargeable thin film lithium batteries
Arun Patil et al.
MATERIALS RESEARCH BULLETIN (2008)
Metadynamics simulations of the high-pressure phases of silicon employing a high-dimensional neural network potential
Joerg Behler et al.
PHYSICAL REVIEW LETTERS (2008)
Mechanisms of Li+ diffusion in crystalline γ- and β-Li3PO4 electrolytes from first principles
Yaojun A. Du et al.
PHYSICAL REVIEW B (2007)
Ab initio molecular dynamics of hydrogen dissociation on metal surfaces using neural networks and novelty sampling
Jeffery Ludwig et al.
JOURNAL OF CHEMICAL PHYSICS (2007)
Representing molecule-surface interactions with symmetry-adapted neural networks
Jorg Behler et al.
JOURNAL OF CHEMICAL PHYSICS (2007)
Generalized neural-network representation of high-dimensional potential-energy surfaces
Joerg Behler et al.
PHYSICAL REVIEW LETTERS (2007)
Li ion diffusion mechanisms in the crystalline electrolyte gamma-Li3PO4
Yaojun A. Du et al.
JOURNAL OF THE ELECTROCHEMICAL SOCIETY (2007)
Preparation of amorphous lithium ion conductor thin films by pulsed laser deposition
J Kawamura et al.
SOLID STATE IONICS (2004)
分享论文
