A neural-network potential through charge equilibration for WS2: From clusters to sheets
Published 2017 View Full Article
- Home
- Publications
- Publication Search
- Publication Details
Title
A neural-network potential through charge equilibration for WS2: From clusters to sheets
Authors
Keywords
-
Journal
JOURNAL OF CHEMICAL PHYSICS
Volume 147, Issue 23, Pages 234306
Publisher
AIP Publishing
Online
2017-12-19
DOI
10.1063/1.5003904
References
Ask authors/readers for more resources
Related references
Note: Only part of the references are listed.- Neural network based coupled diabatic potential energy surfaces for reactive scattering
- (2017) Tim Lenzen et al. JOURNAL OF CHEMICAL PHYSICS
- An Empirical Polarizable Force Field Based on the Classical Drude Oscillator Model: Development History and Recent Applications
- (2016) Justin A. Lemkul et al. CHEMICAL REVIEWS
- An implementation of artificial neural-network potentials for atomistic materials simulations: Performance for TiO 2
- (2016) Nongnuch Artrith et al. COMPUTATIONAL MATERIALS SCIENCE
- Stable isomers and electronic, vibrational, and optical properties of WS2 nano-clusters: A first-principles study
- (2016) Roohollah Hafizi et al. JOURNAL OF CHEMICAL PHYSICS
- Perspective: Machine learning potentials for atomistic simulations
- (2016) Jörg Behler JOURNAL OF CHEMICAL PHYSICS
- Moment Tensor Potentials: A Class of Systematically Improvable Interatomic Potentials
- (2016) Alexander V. Shapeev MULTISCALE MODELING & SIMULATION
- High Pressure Vibrational Properties of WS2 Nanotubes
- (2016) K. R. O’Neal et al. NANO LETTERS
- How van der Waals interactions determine the unique properties of water
- (2016) Tobias Morawietz et al. PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
- Direct Observation of Degenerate Two-Photon Absorption and Its Saturation in WS2 and MoS2 Monolayer and Few-Layer Films
- (2015) Saifeng Zhang et al. ACS Nano
- Gaussian approximation potentials: A brief tutorial introduction
- (2015) Albert P. Bartók et al. INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY
- Spectral neighbor analysis method for automated generation of quantum-accurate interatomic potentials
- (2015) A.P. Thompson et al. JOURNAL OF COMPUTATIONAL PHYSICS
- Metallic 1T phase MoS2 nanosheets as supercapacitor electrode materials
- (2015) Muharrem Acerce et al. Nature Nanotechnology
- Interatomic potentials for ionic systems with density functional accuracy based on charge densities obtained by a neural network
- (2015) S. Alireza Ghasemi et al. PHYSICAL REVIEW B
- WS2 mode-locked ultrafast fiber laser
- (2015) Dong Mao et al. Scientific Reports
- Free-Standing Hierarchically Sandwich-Type Tungsten Disulfide Nanotubes/Graphene Anode for Lithium-Ion Batteries
- (2014) Renjie Chen et al. NANO LETTERS
- Accuracy and transferability of Gaussian approximation potential models for tungsten
- (2014) Wojciech J. Szlachta et al. PHYSICAL REVIEW B
- Extraordinary Second Harmonic Generation in Tungsten Disulfide Monolayers
- (2014) Corey Janisch et al. Scientific Reports
- GROMACS 4.5: a high-throughput and highly parallel open source molecular simulation toolkit
- (2013) Sander Pronk et al. BIOINFORMATICS
- A global potential energy surface for the H2 + OH ↔ H2O + H reaction using neural networks
- (2013) Jun Chen et al. JOURNAL OF CHEMICAL PHYSICS
- A Density-Functional Theory-Based Neural Network Potential for Water Clusters Including van der Waals Corrections
- (2013) Tobias Morawietz et al. JOURNAL OF PHYSICAL CHEMISTRY A
- Enhanced catalytic activity in strained chemically exfoliated WS2 nanosheets for hydrogen evolution
- (2013) Damien Voiry et al. NATURE MATERIALS
- Machine-learning approach for one- and two-body corrections to density functional theory: Applications to molecular and condensed water
- (2013) Albert P. Bartók et al. PHYSICAL REVIEW B
- Unexpected Stable Stoichiometries of Sodium Chlorides
- (2013) W. Zhang et al. SCIENCE
- New developments in evolutionary structure prediction algorithm USPEX
- (2012) Andriy O. Lyakhov et al. COMPUTER PHYSICS COMMUNICATIONS
- Theoretical Study of the Mechanical Behavior of Individual TiS2 and MoS2 Nanotubes
- (2012) Tommy Lorenz et al. Journal of Physical Chemistry C
- Synthesis of Surface-Functionalized WS2 Nanosheets and Performance as Li-Ion Battery Anodes
- (2012) R. Bhandavat et al. Journal of Physical Chemistry Letters
- Extraordinary Room-Temperature Photoluminescence in Triangular WS2 Monolayers
- (2012) Humberto R. Gutiérrez et al. NANO LETTERS
- Electronics and optoelectronics of two-dimensional transition metal dichalcogenides
- (2012) Qing Hua Wang et al. Nature Nanotechnology
- How Evolutionary Crystal Structure Prediction Works—and Why
- (2011) Artem R. Oganov et al. ACCOUNTS OF CHEMICAL RESEARCH
- Atom-centered symmetry functions for constructing high-dimensional neural network potentials
- (2011) Jörg Behler JOURNAL OF CHEMICAL PHYSICS
- Support vector machine regression (LS-SVM)—an alternative to artificial neural networks (ANNs) for the analysis of quantum chemistry data?
- (2011) Roman M. Balabin 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
- High-dimensional neural-network potentials for multicomponent systems: Applications to zinc oxide
- (2011) Nongnuch Artrith et al. PHYSICAL REVIEW B
- Crystal structure prediction using the minima hopping method
- (2010) Maximilian Amsler et al. JOURNAL OF CHEMICAL PHYSICS
- Ab initioquality neural-network potential for sodium
- (2010) Hagai Eshet et al. PHYSICAL REVIEW B
- Gaussian Approximation Potentials: The Accuracy of Quantum Mechanics, without the Electrons
- (2010) Albert P. Bartók et al. PHYSICAL REVIEW LETTERS
- Stacking and Registry Effects in Layered Materials: The Case of Hexagonal Boron Nitride
- (2010) Noa Marom et al. PHYSICAL REVIEW LETTERS
- Ab initio molecular simulations with numeric atom-centered orbitals
- (2009) Volker Blum et al. COMPUTER PHYSICS COMMUNICATIONS
- CHARMM general force field: A force field for drug-like molecules compatible with the CHARMM all-atom additive biological force fields
- (2009) K. Vanommeslaeghe et al. JOURNAL OF COMPUTATIONAL CHEMISTRY
Add your recorded webinar
Do you already have a recorded webinar? Grow your audience and get more views by easily listing your recording on Peeref.
Upload NowAsk a Question. Answer a Question.
Quickly pose questions to the entire community. Debate answers and get clarity on the most important issues facing researchers.
Get Started