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SUMMARY:IMX Seminar Series - Novel mathematics to discover novel materials
DTSTART:20241125T131500
DTEND:20241125T141500
DTSTAMP:20260313T053925Z
UID:5ae3b7bdfe97b4f83418da1151ac1700660f6af015155110028d67da
CATEGORIES:Conferences - Seminars
DESCRIPTION:Prof. Michael Herbst\, EPFL\nLarge-scale density-functional th
 eory (DFT) simulations are an indispensable tool to discover novel materia
 ls and occupy a noteworthy share of the world's supercomputing resources. 
 Obtaining not only efficient\, but also reliable DFT algorithms has thus b
 ecome of elevated importance: at the supercomputing scale any failing simu
 lations not only waste substantial energy resources\, but these failures a
 re also an obstacle to reliable automation and thus overall delay research
  outcomes. In this talk we will introduce a mathematical point of view on 
 DFT simulations and discuss two examples where mathematical research has c
 ontributed to developing especially robust numerical methods for high-thro
 ughput screening.\n\nBio: Michael Herbst obtained a PhD in Theoretical Che
 mistry from Heidelberg University in 2018\, after which he moved on to two
  postdoctoral research stays in Applied Mathematics. From 2019 till 2021 h
 e worked with Éric Cancès (École des Ponts\, Paris\, France) and from 2
 021 till 2023 he stayed in the group of Benjamin Stamm (RWTH Aachen). Sinc
 e March 2023 he is an assistant professor in the Institute of Mathematics 
 and the Institute of Materials at EPFL. His current research spans broadly
  in the field of materials simulations concerning numerical error control 
 and uncertainty quantification of DFT models as well as the development of
  efficient and robust algorithms for high-throughput materials screening.
LOCATION:MXF 1 https://plan.epfl.ch/?room==MXF%201
STATUS:CONFIRMED
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