Reverse Monte Carlo Simulation: A New Technique for the Determination of Disordered Structures
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Inversion of diffraction data for amorphous materialsJoint diffraction and modeling approach to the structure of liquid aluminaEmergent order in the kagome Ising magnet Dy3Mg2Sb3O14Ab-initio reconstruction of complex Euclidean networks in two dimensions.Modeling experimental data in a Monte Carlo simulation.Evaluation of small-angle x-ray scattering data of a Raney-type Ni catalyst with computer simulation.Representational analysis of extended disorder in atomistic ensembles derived from total scattering dataPair potentials from diffraction data on liquids: a neural network solution.Comparison of neutron-scattering data for tetrahedral amorphous carbon with structural models.Reconstruction of the orientational pair-correlation function from neutron-diffraction data: The case of liquid hydrogen iodide.Diffraction and IR/Raman data do not prove tetrahedral water.Comparison of interaction potentials of liquid water with respect to their consistency with neutron diffraction data of pure heavy water.Oxygen-oxygen correlations in liquid water: addressing the discrepancy between diffraction and extended x-ray absorption fine-structure using a novel multiple-data set fitting technique.Disentangling the intricate atomic short-range order and electronic properties in amorphous transition metal oxides.Computational Insights into Materials and Interfaces for Capacitive Energy StorageLocal structure of liquid gallium under pressure.Hydration structure in concentrated aqueous lithium chloride solutions: a reverse Monte Carlo based combination of molecular dynamics simulations and diffraction data.Identifying and characterising the different structural length scales in liquids and glasses: an experimental approach.Relationship between topological order and glass forming ability in densely packed enstatite and forsterite composition glassesFullrmc, a rigid body Reverse Monte Carlo modeling package enabled with machine learning and artificial intelligence.Total scattering and pair distribution function analysis in modelling disorder in PZN (PbZn1/3Nb2/3O3).Atomic-scale disproportionation in amorphous silicon monoxide.Network topology for the formation of solvated electrons in binary CaO-Al2O3 composition glasses.Structural, electronic and kinetic properties of the phase-change material Ge2Sb2Te5 in the liquid state.Atomic structure and oxygen deficiency of the ultrathin aluminium oxide barrier in Al/AlOx/Al Josephson junctions.Structural mechanism of the enhanced glass-forming ability in multicomponent alloys with positive heat of mixing.Non-patchy strategy for inter-atomic distances from Extended X-ray Absorption Fine Structure.Adsorption, intrusion and freezing in porous silica: the view from the nanoscale.Structural disorder in molecular framework materials.Perspective: Coarse-grained models for biomolecular systems.EXAFS and XANES analysis of oxides at the nanoscale.A test of systematic coarse-graining of molecular dynamics simulations: thermodynamic properties.Structural and electronic features of binary Li₂S-P₂S₅ glasses.Data-driven coarse graining of large biomolecular structuresReference state for the generalized Yvon-Born-Green theory: application for coarse-grained model of hydrophobic hydration.Reverse Monte Carlo modeling of liquid water with the explicit use of the SPC/E interatomic potential.Body size affects the strength of social interactions and spatial organization of a schooling fish (Pseudomugil signifer).Shape, electronic structure and steric effects of organometallic nanocatalysts: relevant tools to improve the synergy between theory and experiment.Application of computational methods to the design and characterisation of porous molecular materials.Perspectives of neutron scattering on proton conducting oxides.
P2860
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P2860
Reverse Monte Carlo Simulation: A New Technique for the Determination of Disordered Structures
description
im Dezember 1988 veröffentlichter wissenschaftlicher Artikel
@de
wetenschappelijk artikel
@nl
наукова стаття, опублікована в грудні 1988
@uk
name
Reverse Monte Carlo Simulation ...... ation of Disordered Structures
@en
Reverse Monte Carlo Simulation ...... ation of Disordered Structures
@nl
type
label
Reverse Monte Carlo Simulation ...... ation of Disordered Structures
@en
Reverse Monte Carlo Simulation ...... ation of Disordered Structures
@nl
prefLabel
Reverse Monte Carlo Simulation ...... ation of Disordered Structures
@en
Reverse Monte Carlo Simulation ...... ation of Disordered Structures
@nl
P1433
P1476
Reverse Monte Carlo Simulation ...... ation of Disordered Structures
@en
P2093
L. Pusztai
R. L. McGreevy
P304
P356
10.1080/08927028808080958
P577
1988-12-01T00:00:00Z