Atom-centered symmetry functions for constructing high-dimensional neural network potentials
出版年份 2011 全文链接
标题
Atom-centered symmetry functions for constructing high-dimensional neural network potentials
作者
关键词
-
出版物
JOURNAL OF CHEMICAL PHYSICS
Volume 134, Issue 7, Pages 074106
出版商
AIP Publishing
发表日期
2011-02-17
DOI
10.1063/1.3553717
参考文献
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。- Potential Energy Surfaces Fitted by Artificial Neural Networks
- (2010) Chris M. Handley et al. JOURNAL OF PHYSICAL CHEMISTRY A
- 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
- Signatures of nonadiabaticO2dissociation at Al(111): First-principles fewest-switches study
- (2010) Christian Carbogno 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
- Development of generalized potential-energy surfaces using many-body expansions, neural networks, and moiety energy approximations
- (2009) M. Malshe et al. JOURNAL OF CHEMICAL PHYSICS
- Simultaneous fitting of a potential-energy surface and its corresponding force fields using feedforward neural networks
- (2009) A. Pukrittayakamee et al. JOURNAL OF CHEMICAL PHYSICS
- Molecular Dynamics Investigation of the Bimolecular Reaction BeH + H2→ BeH2+ H on an ab Initio Potential-Energy Surface Obtained Using Neural Network Methods with Both Potential and Gradient Accuracy Determination
- (2009) Hung M. Le et al. JOURNAL OF PHYSICAL CHEMISTRY A
- Using neural networks, optimized coordinates, and high-dimensional model representations to obtain a vinyl bromide potential surface
- (2008) Sergei Manzhos et al. JOURNAL OF CHEMICAL PHYSICS
- Parametrization of analytic interatomic potential functions using neural networks
- (2008) M. Malshe et al. JOURNAL OF CHEMICAL PHYSICS
- Mapping Potential Energy Surfaces by Neural Networks: The ethanol/Au(111) interface
- (2008) Diogo A.R.S. Latino et al. JOURNAL OF ELECTROANALYTICAL CHEMISTRY
- Silicon potentials investigated using density functional theory fitted neural networks
- (2008) E Sanville et al. JOURNAL OF PHYSICS-CONDENSED MATTER
- 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
- Metadynamics Simulations of the High-Pressure Phases of Silicon Employing a High-Dimensional Neural Network Potential
- (2008) Jörg Behler et al. PHYSICAL REVIEW LETTERS
Publish scientific posters with Peeref
Peeref publishes scientific posters from all research disciplines. Our Diamond Open Access policy means free access to content and no publication fees for authors.
Learn MoreCreate your own webinar
Interested in hosting your own webinar? Check the schedule and propose your idea to the Peeref Content Team.
Create Now