标题
Neural network potentials for dynamics and thermodynamics of gold nanoparticles
作者
关键词
-
出版物
JOURNAL OF CHEMICAL PHYSICS
Volume 146, Issue 8, Pages 084314
出版商
AIP Publishing
发表日期
2017-02-28
DOI
10.1063/1.4977050
参考文献
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注意:仅列出部分参考文献,下载原文获取全部文献信息。- Structural Evolution of Core–Shell Gold Nanoclusters: Aun– (n = 42–50)
- (2016) Seema Pande et al. ACS Nano
- Modeling of DFT quality neural network potential for sodium clusters: Application to melting of sodium clusters (Na 20 to Na 40 )
- (2016) Siva Chiriki et al. CHEMICAL PHYSICS LETTERS
- An implementation of artificial neural-network potentials for atomistic materials simulations: Performance for TiO 2
- (2016) Nongnuch Artrith et al. COMPUTATIONAL MATERIALS SCIENCE
- Ensemble-Average Representation of Pt Clusters in Conditions of Catalysis Accessed through GPU Accelerated Deep Neural Network Fitting Global Optimization
- (2016) Huanchen Zhai et al. Journal of Chemical Theory and Computation
- Thermally stable coexistence of liquid and solid phases in gallium nanoparticles
- (2016) Maria Losurdo et al. NATURE MATERIALS
- Elucidating the Nature of the Active Phase in Copper/Ceria Catalysts for CO Oxidation
- (2016) Joseph S. Elias et al. ACS Catalysis
- A combined theoretical and experimental EXAFS study of the structure and dynamics of Au147 nanoparticles
- (2016) Zhiyao Duan et al. Catalysis Science & Technology
- Grand canonical molecular dynamics simulations of Cu–Au nanoalloys in thermal equilibrium using reactive ANN potentials
- (2015) Nongnuch Artrith et al. COMPUTATIONAL MATERIALS SCIENCE
- Constructing high-dimensional neural network potentials: A tutorial review
- (2015) Jörg Behler INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY
- Tetrahedral Au17+: A Superatomic Molecule with a Au13 FCC Core
- (2015) Lijuan Yan et al. Journal of Physical Chemistry C
- Global minimization of gold clusters by combining neural network potentials and the basin-hopping method
- (2015) Runhai Ouyang et al. Nanoscale
- Thermodynamics of nanoalloys
- (2015) Florent Calvo PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- Isomerism and Structural Fluxionality in the Au26 and Au26– Nanoclusters
- (2014) Bastian Schaefer et al. ACS Nano
- Structural Evolution of Medium-Sized Gold Clusters Aun– (n = 36, 37, 38): Appearance of Bulk-Like Face Centered Cubic Fragment
- (2014) Nan Shao et al. Journal of Physical Chemistry C
- Representing potential energy surfaces by high-dimensional neural network potentials
- (2014) J Behler JOURNAL OF PHYSICS-CONDENSED MATTER
- Understanding the Composition and Activity of Electrocatalytic Nanoalloys in Aqueous Solvents: A Combination of DFT and Accurate Neural Network Potentials
- (2014) Nongnuch Artrith et al. NANO LETTERS
- Thermodynamics at the nanoscale: phase diagrams of nickel–carbon nanoclusters and equilibrium constants for phase transitions
- (2014) Yannick Engelmann et al. Nanoscale
- Nanothermodynamics of metal nanoparticles
- (2014) Zhen Hua Li et al. Chemical Science
- Automated fit of high-dimensional potential energy surfaces using cluster analysis and interpolation over descriptors of chemical environment
- (2013) René Fournier 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
- Electronic Shell and Dynamical Coexistence Effects in the Melting of Aluminum Clusters: An Interpretation of the Calorimetric Experiments Through Computer Simulation
- (2013) Andrés Aguado et al. Journal of Physical Chemistry Letters
- Probing Liquid/Solid Interfaces at the Molecular Level
- (2012) Francisco Zaera CHEMICAL REVIEWS
- Density functional theory guided Monte Carlo simulations: Application to melting of Na13
- (2012) Satya Bulusu et al. JOURNAL OF CHEMICAL PHYSICS
- DFT study of the structures and energetics of 98-atom AuPd clusters
- (2012) Alina Bruma et al. Nanoscale
- Neural network potentials for metals and oxides - First applications to copper clusters at zinc oxide
- (2012) Nongnuch Artrith et al. PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS
- Erratum: High-dimensional neural-network potentials for multicomponent systems: Applications to zinc oxide [Phys. Rev. B83, 153101 (2011)]
- (2012) Nongnuch Artrith et al. PHYSICAL REVIEW B
- High-dimensional neural network potentials for metal surfaces: A prototype study for copper
- (2012) Nongnuch Artrith et al. PHYSICAL REVIEW B
- Catalytic Activities of Subnanometer Gold Clusters (Au16–Au18, Au20, and Au27–Au35) for CO Oxidation
- (2011) Yi Gao et al. ACS Nano
- Melting and Freezing of Metal Clusters
- (2011) Andrés Aguado et al. Annual Review of Physical Chemistry
- Atom-centered symmetry functions for constructing high-dimensional neural network potentials
- (2011) Jörg Behler JOURNAL OF CHEMICAL PHYSICS
- Stepwise Melting in Na41+: A First-Principles Critical Analysis of Available Experimental Results
- (2011) Andrés Aguado Journal of Physical Chemistry C
- Au40: A large tetrahedral magic cluster
- (2011) De-en Jiang et al. PHYSICAL REVIEW B
- Negative heat capacity of small systems in the microcanonical ensemble
- (2010) M. A. Carignano et al. EPL
- Gold cluster beyond hollow cage: A double shell structure of Au58
- (2010) C. D. Dong et al. JOURNAL OF CHEMICAL PHYSICS
- Probing the Structural Evolution of Medium-Sized Gold Clusters: Aun−(n= 27−35)
- (2010) Nan Shao et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
- Gaussian Approximation Potentials: The Accuracy of Quantum Mechanics, without the Electrons
- (2010) Albert P. Bartók et al. PHYSICAL REVIEW LETTERS
- A systematic search for minimum structures of small gold clusters Au[sub n] (n=2–20) and their electronic properties
- (2009) Behnam Assadollahzadeh et al. JOURNAL OF CHEMICAL PHYSICS
- Fluxionality of gold nanoparticles investigated by Born-Oppenheimer molecular dynamics
- (2009) Angelo Vargas et al. PHYSICAL REVIEW B
- Relativistic Effects and the Unique Low-Symmetry Structures of Gold Nanoclusters
- (2008) Wei Huang et al. ACS Nano
- Gold—an introductory perspective
- (2008) Graham J. Hutchings et al. CHEMICAL SOCIETY REVIEWS
- On the Structure of Thiolate-Protected Au25
- (2008) Jaakko Akola et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
- Metadynamics Simulations of the High-Pressure Phases of Silicon Employing a High-Dimensional Neural Network Potential
- (2008) Jörg Behler et al. PHYSICAL REVIEW LETTERS
- A unified view of ligand-protected gold clusters as superatom complexes
- (2008) M. Walter et al. PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
- Orbital-dependent density functionals: Theory and applications
- (2008) Stephan Kümmel et al. REVIEWS OF MODERN PHYSICS
- Structures of Neutral Au7, Au19, and Au20 Clusters in the Gas Phase
- (2008) P. Gruene et al. SCIENCE
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