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WE-Heraeus-Seminar — Past, Present and Future of Reverse Monte Carlo Modeling: Recent Challenges in Determining Structure‐ Property Relationship in Materials
27 Jul 2026 - 31 Jul 2026 • Bad Honnef, Germany
Organizer:
Wilhelm and Else Heraeus-Foundation
Abstract:
Reverse Monte Carlo (RMC) modeling has emerged as a powerful computational tool for reconstructing atomic configurations from experimental data, including X-ray and neutron scattering. By iteratively refining atomic positions to match measured structure factors, RMC provides insights into short- and intermediate-range order, structural motifs, and hidden correlations. The method has successfully been applied to liquids, covalent and metallic lasses, and disordered crystals, advancing our understanding of many complex structural henomena.
Event listing ID:
1688039


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Last updated: 19 December 2025