MH2026
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Session Details

Oral - Intermetallic compounds

Computation for intermetallics

Tue. Oct 27, 2026 10:30 AM - 11:55 AM JST
Tue. Oct 27, 2026 1:30 AM - 2:55 AM UTC
Room M(Exhibition Hall 3)
Chair:Jean-Claude Crivello(LINK - CNRS)
10:30 AM - 10:55 AM JST(1:30 AM - 1:55 AM UTC)

[In21]AI-driven Hydrogen Materials Data Platform

*Hao Li1 (1. Tohoku University (Japan))
10:55 AM - 11:15 AM JST(1:55 AM - 2:15 AM UTC)

[Or37]Bridging Theory and Experiment: Machine-Learned Interatomic Potentials for Rapid Hydrogen Storage Alloy Discovery

*Lei Lei1, Siow Mean Loh1, Oliver Morrison1, Matthew D Witman2, Vitalie Stavila2, David M Grant1, Martin Dornheim1, Sanliang Ling1 (1. University of Nottingham (UK), 2. Sandia National Laboratories (USA))
11:15 AM - 11:35 AM JST(2:15 AM - 2:35 AM UTC)

[Or38]Sustainable TiFe Hydrogen Storage Alloys from New Zealand Ilmenite: First-Principles Modelling-informed Metallurgy

*Paul Jerabek1, Ebert Alvares1, Lekshmi Dinachandran2, M. Zarar Rasheed3,4, Alexander Haack1,2, Anna L. Garden2, Nigel Lucas2, Chris W. Bumby3,4, Sally Brooker2, Thomas Klassen1,5, Claudio Pistidda1 (1. Helmholtz-Zentrum Hereon, 21502 Geesthacht (Germany), 2. MacDiarmid Institute for Advanced Materials and Nanotechnology, Department of Chemistry, University of Otago, 9054 Dunedin (New Zealand), 3. Robinson Research Institute, Faculty of Engineering, Victoria University of Wellington, 5010 Wellington (New Zealand), 4. The MacDiarmid Institute for Advanced Materials and Nanotechnology, Victoria University of Wellington, 6012 Wellington (New Zealand), 5. Helmut Schmidt University, University of the Federal Armed Forces Hamburg, 22043 Hamburg (Germany))
11:35 AM - 11:55 AM JST(2:35 AM - 2:55 AM UTC)

[Or39]Integrated computational design of FeTi alloys for hydrogen storage

*Ebert Alvares1, Paul Jerabek1, Thomas Klassen1,2, Claudio Pistidda1 (1. Helmholtz-Zentrum hereon (Germany), 2. Helmut-Schmidt University (Germany))
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