Global minimization of gold clusters by combining neural network potentials and the basin-hopping method

Quantum Mechanical Studies of Large Metal, Metal Oxide, and Metal Chalcogenide Nanoparticles and Clusters

(2015) Amendra Fernando et al.   CHEMICAL REVIEWS

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

Magic-Number Gold Nanoclusters with Diameters from 1 to 3.5 nm: Relative Stability and Catalytic Activity for CO Oxidation

(2014) Hui Li et al.   NANO LETTERS

Global optimization of clusters using electronic structure methods

(2013) Sven Heiles et al.   INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

Neural networks for local structure detection in polymorphic systems

(2013) Philipp Geiger et al.   JOURNAL OF CHEMICAL PHYSICS

The expanding universe of thiolated gold nanoclusters and beyond

(2013) De-en Jiang   Nanoscale

Probing the electronic properties and structural evolution of anionic gold clusters in the gas phase

(2012) Lei-Ming Wang et al.   Nanoscale

Investigating the structural evolution of thiolate protected gold clusters from first-principles

(2012) Yong Pei et al.   Nanoscale

Stabilized gold clusters: from isolation toward controlled synthesis

(2012) Prasenjit Maity 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

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

(2012) Nongnuch Artrith et al.   PHYSICAL REVIEW B

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

(2011) Jörg Behler   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

First-principles study of the adsorption of Au atoms and Au2and Au4clusters on FeO/Pt(111)

(2011) Runhai Ouyang et al.   PHYSICAL REVIEW B

Gold cluster beyond hollow cage: A double shell structure of Au58

(2010) C. D. Dong et al.   JOURNAL OF CHEMICAL PHYSICS

Reconstruction of core and surface nanoparticles: The example ofPt55andAu55

(2010) Juarez L. F. Da Silva et al.   PHYSICAL REVIEW B

Green Gold Catalysis

(2010) C. H. Christensen et al.   SCIENCE

Quantum sized, thiolate-protected gold nanoclusters

(2009) Rongchao Jin   Nanoscale

Structure determination of gold clusters by trapped ion electron diffraction: Au14−–Au19−

(2009) Anne Lechtken et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Structure of large gold clusters obtained by global optimization using the minima hopping method

(2009) Kuo Bao et al.   PHYSICAL REVIEW B

Relativistic Effects and the Unique Low-Symmetry Structures of Gold Nanoclusters

(2008) Wei Huang et al.   ACS Nano

Theory and simulation in heterogeneous gold catalysis

(2008) Rudy Coquet et al.   CHEMICAL SOCIETY REVIEWS

Restoring the Density-Gradient Expansion for Exchange in Solids and Surfaces

(2008) John P. Perdew et al.   PHYSICAL REVIEW LETTERS

Structures of Neutral Au7, Au19, and Au20 Clusters in the Gas Phase

(2008) P. Gruene et al.   SCIENCE