[f(k)] Fw: Milica Todorović: "Computational materials engineering with active learning" in the physics colloquium this week

[Antero Voutilainen]

Heippa hei!

Tämän perjantain kollokvio:

yt. Antero Voutilainen
Fyysikkokerho


This Friday's colloquium:

------ Forwarded Message --------
From: Tero Tapio Heikkilä <tero.t.heikkila at jyu.fi>
Date: 7.11.2022 16.40.37
Subject: Milica Todorović: "Computational materials engineering with active learning" in the physics colloquium this week
On Friday 11th November at 10 am in FYS1 and Zoom [https://jyufi.zoom.us/j/66703175507] (passcode 890524):

Milica Todorović, University of Turku
Computational materials engineering with active learning
Data-driven materials science based on artificial intelligence (AI) algorithms has facilitated breakthroughs in materials optimization and design. Of particular interest are active learning algorithms, where datasets are collected by sampling on-the-fly in the search for optimal solutions. We encoded such a probabilistic algorithm into the Bayesian Optimization Structure Search (BOSS) Python tool for materials research. We utilized this versatile tool to study functional materials, like molecular surface adsorbates, thin films, solid-solid interfaces, molecular conformers, and even to optimise experimental outcomes. Agreement between optimal solutions and experimental measurements suggests that active learning is capable of good accuracy at computational costs up to 10 times smaller than other approaches. New algorithms combining batch and gradient acquisitions with multi-fidelity schemes will allow us to harness the power of exascale computing platforms for next-generation materials engineering.

Welcome!

Coffee will be served in the lobby. You can also join via Zoom (with your own coffee). We will do our best to make sure that everyone is capable of listening to the talk and asking questions. However, we ask for some patience in case of small technical glitches.

The confirmed near-future colloquium talks are

2.12. Ferrucio Renzoni (UCL) Atomic magnetometry

Do you wish to suggest further topics for the colloquium? You can do so at Café JYFL [https://jyu.sharepoint.com/:w:/r/sites/CafJYFLDepartmentofPhysics/Jaetut%20asiakirjat/General/Physics%20colloquium%20ideas.docx?d=w888a107ea28543c7a9bc331f12a99995&amp;csf=1&amp;web=1&amp;e=r5iubT]. There are still a couple of open slots (and budget) for the fall, and much more so for the spring, so suggestions are welcome.
-- Tero Heikkilä Professor, Department of Physics University of Jyväskylä

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