Global Optimization by Basin-Hopping and the Lowest Energy Structures of Lennard-Jones Clusters Containing up to 110 Atoms
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Principles and Overview of Sampling Methods for Modeling Macromolecular Structure and DynamicsHolographic acoustic elements for manipulation of levitated objects.The energy landscape, folding pathways and the kinetics of a knotted proteinDynamics of lennard-jones clusters: A characterization of the activation-relaxation techniqueMonte Carlo basin paving: an improved global optimization method.Protein structure prediction: assembly of secondary structure elements by basin-hopping.Protein structure prediction using basin-hopping.Membrane Protein Structure, Function, and Dynamics: a Perspective from Experiments and Theory.Energy landscapes of a hairpin peptide including NMR chemical shift restraints.Protein structure prediction using global optimization by basin-hopping with NMR shift restraints.Theoretical and experimental studies of water interaction in acetate based ionic liquids.DynaDom: structure-based prediction of T cell receptor inter-domain and T cell receptor-peptide-MHC (class I) association angles.Bayesian inference of protein ensembles from SAXS data.First-principles data set of 45,892 isolated and cation-coordinated conformers of 20 proteinogenic amino acids.Energy landscapes for a machine learning application to series data.Novel structures and energy spectra of hydroxylated (SiO2)8-based clusters: searching for the magic (SiO2)8O2H3- cluster.Applicability of the Hunjan-Ramaswamy global optimization method.Minimum Vertex-type Sequence Indexing for Clusters on Square Lattice.SSC: a tool for constructing libraries for systematic screening of conformers.Generating Uniform Incremental Grids on SO(3) Using the Hopf FibrationMC EMiNEM maps the interaction landscape of the MediatorInfrared driven CO oxidation reactions on isolated platinum cluster oxides, Pt(n)O(m)+.Communication: structure of magnetic lanthanide clusters from far-IR spectroscopy: Tb(n)+ (n = 5-9).Crystal structure prediction from first principles.The OPEP protein model: from single molecules, amyloid formation, crowding and hydrodynamics to DNA/RNA systemsA new phase from compression of carbon nanotubes with anisotropic Dirac fermions.B28: the smallest all-boron cage from an ab initio global search.Generic, phenomenological, on-the-fly renormalized repulsion model for self-limited organization of terminal supraparticle assemblies.A computational analysis of flanker interference in depression.A Computational Cognitive Biomarker for Early-Stage Huntington's Disease.Three-Dimensional Assignment of the Structures of Atomic Clusters: an Example of Au8M (M=Si, Ge, Sn) Anion Clusters.Oxygen-deficient perovskites: linking structure, energetics and ion transport.Compressed carbon nanotubes: a family of new multifunctional carbon allotropes.Bonding-restricted structure search for novel 2D materials with dispersed C2 dimers.Unraveling the Planar-Globular Transition in Gold Nanoclusters through Evolutionary Search.Observation time scale, free-energy landscapes, and molecular symmetry.Origin of high oxygen reduction reaction activity of Pt12 and strategy to obtain better catalyst using sub-nanosized Pt-alloy clusters.Atomistic theory and simulation of the morphology and structure of ionic nanoparticles.Investigating the structural evolution of thiolate protected gold clusters from first-principles.Exploring energy landscapes: from molecular to mesoscopic systems.
P2860
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P2860
Global Optimization by Basin-Hopping and the Lowest Energy Structures of Lennard-Jones Clusters Containing up to 110 Atoms
description
im Juli 1997 veröffentlichter wissenschaftlicher Artikel
@de
wetenschappelijk artikel
@nl
наукова стаття, опублікована в липні 1997
@uk
name
Global Optimization by Basin-H ...... ers Containing up to 110 Atoms
@en
Global Optimization by Basin-H ...... ers Containing up to 110 Atoms
@nl
type
label
Global Optimization by Basin-H ...... ers Containing up to 110 Atoms
@en
Global Optimization by Basin-H ...... ers Containing up to 110 Atoms
@nl
prefLabel
Global Optimization by Basin-H ...... ers Containing up to 110 Atoms
@en
Global Optimization by Basin-H ...... ers Containing up to 110 Atoms
@nl
P356
P1476
Global Optimization by Basin-H ...... ers Containing up to 110 Atoms
@en
P2093
David J. Wales
Jonathan P. K. Doye
P304
P356
10.1021/JP970984N
P407
P577
1997-07-01T00:00:00Z
P818
cond-mat/9803344