Related references
Note: Only part of the references are listed.Augmenting Basin-Hopping With Techniques From Unsupervised Machine Learning: Applications in Spectroscopy and Ion Mobility
Ce Zhou et al.
FRONTIERS IN CHEMISTRY (2019)
Global Structure Optimization of Pt Clusters Based on the Modified Empirical Potentials, Calibrated using Density Functional Theory
Stanislav K. Ignatov et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2019)
Periodicity of molecular clusters based on symmetry-adapted orbital model
Takamasa Tsukamoto et al.
NATURE COMMUNICATIONS (2019)
A New Genetic Algorithm Approach Applied to Atomic and Molecular Cluster Studies
Frederico T. Silva et al.
FRONTIERS IN CHEMISTRY (2019)
New AuN (N=27-30) Lowest Energy Clusters Obtained by Means of an Improved DFT-Genetic Algorithm Methodology
Jorge A. Vargas et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2017)
Low-lying Ptn cluster structures (n=6-10) from global optimizations based on DFT potential energy surfaces: Sensitivity of the chemical ordering with the functional
Rui Li et al.
COMPUTATIONAL AND THEORETICAL CHEMISTRY (2017)
Active learning of linearly parametrized interatomic potentials
Evgeny V. Podryabinkin et al.
COMPUTATIONAL MATERIALS SCIENCE (2017)
Geometries, Binding Energies, Ionization Potentials, and Electron Affinities of Metal Clusters: Mgn0,±1, n=1-7
Kaining Duanmu et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2016)
Thermodynamics of Metal Nanoparticles: Energies and Enthalpies of Formation of Magnesium Clusters and Nanoparticles as Large as 1.3 nm
Kaining Duanmu et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2016)
MOMENT TENSOR POTENTIALS: A CLASS OF SYSTEMATICALLY IMPROVABLE INTERATOMIC POTENTIALS
Alexander V. Shapeev
MULTISCALE MODELING & SIMULATION (2016)
Structural, electronic, thermodynamic and spectral properties of Mgn (n=2-31) clusters. A DFT study
Sergey N. Belyaev et al.
COMPUTATIONAL AND THEORETICAL CHEMISTRY (2016)
Spectral neighbor analysis method for automated generation of quantum-accurate interatomic potentials
A. P. Thompson et al.
JOURNAL OF COMPUTATIONAL PHYSICS (2015)
Isomerism and Structural Fluxionality in the Au26 and Au26- Nanoclusters
Bastian Schaefer et al.
ACS NANO (2014)
Practical graph isomorphism, II
Brendan D. McKay et al.
JOURNAL OF SYMBOLIC COMPUTATION (2014)
Metrics for measuring distances in configuration spaces
Ali Sadeghi et al.
JOURNAL OF CHEMICAL PHYSICS (2013)
Parameterization of a reactive force field using a monte carlo algorithm
E. Iype et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2013)
Investigation of Catalytic Finite-Size-Effects of Platinum Metal Clusters
Lin Li et al.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2013)
Density functional theory study of small nickel clusters
Satyender Goel et al.
JOURNAL OF MOLECULAR MODELING (2012)
Growth and Structural Properties of MgN (N = 10-56) Clusters: Density Functional Theory Study (vol 115, 12307, 2011)
Ideh Heidari et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2012)
Structure of Mgn and Mg n + clusters up to n=30
S. Janecek et al.
EUROPEAN PHYSICAL JOURNAL D (2011)
Growth and Structural Properties of MgN (N=10-56) Clusters: Density Functional Theory Study
Ideh Heidari et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2011)
Semiclassical chaos in atomic clusters: An exploration with ring-polymer molecular dynamics
F. Calvo
PHYSICA D-NONLINEAR PHENOMENA (2011)
Small Magnesium Clusters: Between van der Waals and Valence Bonds
Alexander Kaufmann et al.
INORGANIC CHEMISTRY (2010)
Adsorption and desorption of hydrogen in Mg nanoclusters: Combined effects of size and Ti doping
S. Banerjee et al.
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY (2010)
Does Vibrational Delocalization Stabilize Multiply-Charged Neon Clusters?
F. Calvo
JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2010)
Density functional theory investigation of 3d, 4d, and 5d 13-atom metal clusters
Mauricio J. Piotrowski 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)
Effects of Quantum Delocalization on Structural Changes in Lennard-jones Clusters
Jason Deckman et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2009)
Electron correlation in metal clusters, quantum dots and quantum rings
M. Manninen et al.
JOURNAL OF PHYSICS A-MATHEMATICAL AND THEORETICAL (2009)
Coordination motifs and large-scale structural organization in atomic clusters
Zhu Yang et al.
PHYSICAL REVIEW B (2009)
Ab initio calculation of neutral and singly charged Mg-n (n <= 11) clusters
Jian-Min Zhang et al.
PHYSICA B-CONDENSED MATTER (2008)
Periodic trends in the geometric structures of 13-atom metal clusters
Yan Sun et al.
PHYSICAL REVIEW B (2008)
Quantum transitions in Lennard-Jones clusters
Jason Deckman et al.
PHYSICAL REVIEW E (2008)
Evolution of the electronic and ionic structure of Mg clusters with increase in cluster size
A Lyalin et al.
PHYSICAL REVIEW A (2003)
Magnesium clusters: Structural and electronic properties and the size-induced nonmetal-to-metal transition (vol 106A, pg 10924, 2002)
J Jellinek et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2003)
Crossover among structural motifs in transition and noble-metal clusters
F Baletto et al.
JOURNAL OF CHEMICAL PHYSICS (2002)