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DTSTART:19960101T000000 END:STANDARD BEGIN:STANDARD TZNAME:GMT TZOFFSETFROM:+0100 TZOFFSETTO:+0000 DTSTART:19961027T020000 RRULE:FREQ=YEARLY;BYMONTH=10;BYDAY=-1SU END:STANDARD END:VTIMEZONE BEGIN:VEVENT DTSTAMP:20260427T064357Z DTSTART;VALUE=DATE-TIME:20250127T130000 DTEND;VALUE=DATE-TIME:20250127T140000 SUMMARY:WCPM: James Kermode\, ÌÇÐÄTV TZID:Europe/London UID:20250127-8ac672c493cda1240193cfe992f717b3@warwick.ac.uk CREATED:20250407T122226Z DESCRIPTION:Location: A2.05B (there will be an informal sandwich lunch ou tside D2.02 at 12.30) Time: 13.00-14.00 To join this meeting online clic k here. Title: Applying Scientific Machine Learning at the Electronic an d Atomistic Scales to Model Materials Failure Processes Abstract:Scienti fic machine learning (SciML) combines the positive features of mechanist ic and data-driven approaches. I will describe recent work to leverage i ts advantages to model materials failure processes such as fracture and plasticity which simultaneously require large model systems and high acc uracy by constructing efficient surrogates at the electronic structure [ 1\,2] and interatomic potential scales [3-7]. I will also discuss the im portance of robust uncertainty estimates when using surrogate models [3] . The talk will be illustrated with ongoing industrially relevant applic ations\, e.g. austenitic stainless steels subject to radiation damage [4 ] and point/extended defects in BCC metals [5\,6]. I will present some r esults from fine-tuning the MACE-MP-0 foundation model [7] to improve it s (already reasonable) out-of-the-box description of these systems.[1] L . Zhang et al.\, npj Comput. Mater. 8 158 (2022) [2] P. Stishenko et al. J. Chem. Phys. 161\, 012502 (2024) [3] I. R. Best\, T. J. Sullivan\, an d J. R. Kermode\, J. Chem. Phys. 161\, 064112 (2024) [4] L. Shenoy et al .\, Phys. Rev. Mater. 8\, 033804 (2024) [5] P. Grigorev\, A. M. Goryaeva \, M.-C. Marinica\, J. R. Kermode\, and T. D. Swinburne\, Acta Mater. 24 7 118734 (2023) [6] M. Nutter\, J. R. Kermode\, and A. P. Bartók [arXiv: 2406.08368] (2024) [7] I. Batatia et al.\, A Foundation Model for Atomis tic Materials Chemistry [arXiv:2401.00096] (2024) LOCATION:A2.05B CATEGORIES:WCPM LAST-MODIFIED:20250407T122226Z ORGANIZER;CN=Sarah Jarratt: END:VEVENT END:VCALENDAR