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SUMMARY:861. WE-Heraeus-Seminar: Past\, Present and Future of Reverse Mont
 e Carlo Modeling: Recent Challenges in Determining Structure‐ Property R
 elationship in Materials
DTSTART:20260727T140000Z
DTEND:20260731T120000Z
DTSTAMP:20260630T174300Z
UID:indico-event-45@indico.we-heraeus-stiftung.de
DESCRIPTION:Speakers: Prof. Dr. Jens R. Stellhorn\, Shimane U\, Japan\, Pr
 of. Dr. Laszlo Pusztai\, U Budapest\, Hungary\, Prof. Dr. Wolf‐Christian
  Pilgrim\, U Marburg\n\n\n\n\n\nDisordered materials\, including liquids\,
  glasses\, and partially ordered solids\, are central toboth everyday life
  and advanced technologies\, from battery electrodes and catalysts to phas
 e-change memory materials. Understanding their atomic-level structure is c
 rucial for unlocking their functional properties\, such as ion conduction 
 in battery materials or optical switching in phase-change compounds. Howev
 er\, unlike perfect crystals\, where diffraction techniques provide direct
  atomic positions\, disordered systems require complementary approaches to
  reveal structural correlations beyond the nearest-neighbor scale.\nRevers
 e Monte Carlo (RMC) modeling has emerged as a powerful computational tool 
 forreconstructing atomic configurations from experimental data\, including
  X-ray and neutronscattering. By iteratively refining atomic positions to 
 match measured structure factors\, RMC provides insights into short- and i
 ntermediate-range order\, structural motifs\, and hidden correlations. The
  method has successfully been applied to liquids\, covalent and metallic l
 asses\, and disordered crystals\, advancing our understanding of many comp
 lex structural henomena.\nDespite its successes\, challenges remain\, part
 icularly in integrating energetic constraints and overcoming the inherent 
 under-determination of experimental data. Recent advances\, including hybr
 id RMC approaches and AI-driven modeling\, offer promising pathways to enh
 ance structural reliability. This seminar will bring together experts fro
 m diverse disciplines—including materials science\, condensed matter phy
 sics\, computational modeling\, and scattering communities—to discuss st
 ate-of-the-art developments and future directions. By fostering interdisci
 plinary exchange between early career and experienced researchers\, we aim
  to drive innovation in the structural analysis of disordered materials an
 d strengthen collaborations across research fields.We hope that individual
  inspirations and mutual collaborations born in this seminar offer a new a
 venue for a next-generation materials science.\n\n\n\n\n\n\n\n\nThe confer
 ence language will be English. The Wilhelm and Else Heraeus-Foundation bea
 rs the cost of full-board accommodation for all participants.\n\n\n\n\n\nh
 ttps://indico.we-heraeus-stiftung.de/event/45/
IMAGE;VALUE=URI:https://indico.we-heraeus-stiftung.de/event/45/logo-146285
 5001.png
LOCATION:Physikzentrum Bad Honnef
URL:https://indico.we-heraeus-stiftung.de/event/45/
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