ESI-DCAFM-TACO-VDSP Summer School on "Machine Learning for Materials Hard and Soft"

Driven by the availability of large data sets and the application of artificial intelligence algorithms, materials science is currently undergoing a dramatic transformation. In particular, machine learning approaches are opening up new possibilities to model, understand, design and discover new materials. In this summer school, geared towards doctoral and advanced master students, participants will gain an understanding of various machine learning methods and learn about their application to hard and soft materials. Introductory lectures will be complemented with hands-on exercises as well as research talks about the current state of the art.

There is no registration fee but registration is compulsory. Furthermore, MSc and PhD students have the opportunity to apply for travel support. Registration deadline is April 26, 2022. The applications are now closed.

Places for the school are limited. It is planned that the school will take place on site. However, the school may be switched online if required due to the COVID situation.

July 11, 2022
08:00 — 08:30
Registration & Welcome
09:00 — 10:30
Philipp Grohs (U of Vienna)

Mathematical Introduction I

10:30 — 11:00
Coffee Break
11:00 — 12:30
Philipp Grohs (U of Vienna)

Mathematical Introduction I

12:30 — 14:00
Lunch Break
14:00 — 17:00
Tutorial

Philipp Grohs (U of Vienna), Pavol Harar (U of Vienna), Michael Scherbela (U of Vienna)

17:00 — 19:00
Welcome reception
July 12, 2022
09:00 — 10:30
Philipp Grohs (U of Vienna)

Mathematical Introduction II

10:30 — 11:00
Coffee Break
11:00 — 12:30
Philipp Grohs (U of Vienna)

Mathematical Introduction II

12:30 — 14:00
Lunch Break
14:00 — 17:00
Tutorial

Philipp Grohs (U of Vienna), Pavol Harar (U of Vienna), Michael Scherbela (U of Vienna)

July 13, 2022
09:00 — 10:30
Thomas Pock (TU Graz)
Image Analysis
10:30 — 11:00
Coffee Break
11:00 — 12:30
Thomas Pock (TU Graz)

Image Analysis

12:30 — 14:00
Lunch Break
14:00 — 17:00
Tutorial

Thomas Pock (TU Graz)

July 14, 2022
09:00 — 10:30
James Spencer (DeepMind, London)
Introduction to Electronic Structure Methods
10:30 — 11:00
Coffee Break
11:00 — 12:30
David Pfau (DeepMind, London)
Deep Learning and Ab-initio Electronic Structure
12:30 — 14:00
Lunch Break
14:00 — 17:00
Tutorial

David Pfau (DeepMind), James Spencer (DeepMind), Halvard Sutterud (Imperial College)

July 15, 2022
09:00 — 09:45
10:30 — 11:00
Coffee Break
11:00 — 11:45
11:45 — 12:45
AI Case Studies

Marine Pigneur (MLR GmbH), Christopher Lepenik (Image Biopsy Lab), Christian Leitold (Verbund), Bhuiyan S.M. Ebna-Hai (Fehrmann)

12:45 — 14:30
AI Lunch
14:30 — 15:15
July 18, 2022
09:00 — 10:30
Philipp Marquetand (U of Vienna)
ML potentials
10:30 — 11:00
Coffee Break
11:00 — 12:30
Philipp Marquetand (U Vienna)

ML Potentials I

12:30 — 14:00
Lunch Break
14:00 — 17:00
Tutorial

Philipp Marquetand (U Vienna), Lukas Kyvala (U Vienna), Alexander Gorfer (U Vienna)

July 19, 2022
09:00 — 10:30
Phlipp Marquentand (U Vienna)

ML Potentials II

10:30 — 11:00
Coffee Break
11:00 — 12:30
Philipp Marquetand (U Vienna)

ML Potentials II

12:30 — 14:00
Lunch Break
14:00 — 17:00
Tutorial

Philipp Marquetand (U Vienna), Lukas Kyvala (U Vienna), Alexander Gorfer (U Vienna)

18:00 — 22:00
Social Dinner

Heuriger Feuerwehr Wagner, Grinzinger Straße 53, 1190 Wien

July 20, 2022
09:00 — 10:30
Peter Wirnsberger (DeepMind, London)
Statistical sampling
10:30 — 11:00
Coffee Break
11:00 — 12:30
Peter Wirnsberger (DeepMind, London)

Statistical Sampling

12:30 — 14:00
Lunch Break
14:00 — 17:00
Tutorial

Peter Wirnsberger (DeepMind, London), Alessandro Coretti (U Vienna), Sebastian Falkner (U Vienna)

July 21, 2022
09:00 — 10:30
Luigi Bonati (IIT, Genova)
Free energies and enhanced sampling
10:30 — 11:00
Coffee Break
11:00 — 12:30
Luigi Bonati (IIT Genova)

Free energies and enhanced sampling

12:30 — 14:00
Lunch Break
14:00 — 17:00
Tutorial

Luigi Bonati (ETH Zurich & IIT Genova), Enrico Trizio (IIT Genova)

July 22, 2022
09:00 — 10:30
Taylor D. Sparks (U of Utah, Saltlake City)
Materials properties prediction
10:30 — 11:00
Coffee Break
11:00 — 11:30
Taylor D. Sparks (U of Utah, Saltlake City)

Materials properties prediction

11:30 — 12:30
Tutorial

Taylor D. Sparks (U of Utah), Sterling Baird (U of Utah)

12:30 — 12:45
Closing Remarks

Organizers

Name Affiliation
Christoph Dellago University of Vienna
Ulrike Diebold Technical University of Vienna
Leticia Gonzalez Herrero University of Vienna
Jani Kotakoski University of Vienna
Christiane Losert-Valiente Kroon University of Vienna

Attendees

Name Affiliation
Raihan Ahammed Institute of Nano Science and Technology
Qais Ali Danube University
Andrea Angeletti University of Vienna
Brigitta Bachmair University of Vienna
Sterling Baird University of Utah
Joselyn Benalcazar University of Vienna
Maria Bilichenko University of Zurich
Viktor Birschitzky University of Vienna
Luigi Bonati Italian Institute of Technology, Genova
Anna Braghetto University of Padua, Padua, Italy
Lukas Brandfellner University of Vienna
Matteo Brizioli University of Milan
Florian Buchner Technical University of Vienna
Lorenzo Celiberti University of Vienna
Bingqing Cheng Institute of Science and Technology Austria
Marco Corrias University of Vienna
Marjolein Dijkstra Utrecht University
Enrico Drigo SISSA
Sebastian Falkner University of Vienna
Andrew Ferguson University of Chicago
Lucía Fernández-Sedano Complutense University of Madrid
Alexander Genest Technical University of Vienna
Willem Gispen Utrecht University
Alexander Gorfer University of Vienna
Philipp Grohs University of Vienna
Pavol Harar University of Vienna
Santiago Helbig University of Vienna
Alexander Michael Imre Technical University of Vienna
Priyanka Iyer Forschungszentrum Jülich
Nikolaos Kalafatakis University of Vienna
Manpreet Kaur University of Vienna
Eva Kogler Technical University of Graz
Denys Kononenko Leibniz-Institut für Festkörper- und Werkstoffforschung Dresden
Péter Kovács Technical University of Vienna
Lukas Kyvala University of Vienna
Enrico Lattuada University of Vienna
Luca Leoni University of Bologna
Cesare Malosso SISSA
Philipp Marquetand University of Vienna
Dario Massa NCBJ, NOMATEN Center of Excellence for Multifunctional Materials
Reinhard Maurer University of Warwick
Fahimeh Najafi University of Oslo
Lappawat Ngamwongwan Utrecht University
Apinya Ngoipala University of Limerick, Limerick, Ireland
Sucharita Niyogi Vellore Institute of Technology
Ivan Novikau University of Vienna
Shanil Panara Imperial College London
David Pfau DeepMind
Pedro Pires Ferreira Universidade de São Paulo
Michael Pittenauer Technical University of Vienna
Thomas Pock Technical University of Graz
Sebastian Poscher None
Diana Propst University of Vienna
Jon Eunan Quinlivan Dominguez University of Barcelona
Luigi Ranalli University of Vienna
Madlen Maria Reiner University of Vienna
Salvatore Romano University of Vienna
Thantip Roongcharoen CNR-ICCOM Consiglio Nazionale delle Ricerche
Fiona Sander Imperial College London
Jihong Shi King's College London
Panukorn Sombut Technical University of Vienna
Taylor D. Sparks University of Utah
Daniel Speckhard Fritz-Haber-Instiut der Max-Planck-Gesellschaft
James Spencer DeepMind
Zoran Sukurma University of Vienna
Halvard Sutterud Imperial College London
Alberto Tampieri Technical University of Vienna
Parinya Tangpakonsab Technical University of Vienna
Maximilian Xaver Tiefenbacher University of Vienna
Milica Todorovic University of Turku
Enrico Trizio Italian Institute of Technology, Genova
Nico Unglert Technical University of Vienna
Martin Unzog University of Vienna
Andrés Felipe Usuga Universitat Autònoma de Barcelona
Ryan van Mastrigt University of Amsterdam
Dóra Vörös University of Vienna
Jakub Vrabel University of Technology Brno
Ralf Wanzenböck Technical University of Vienna
Jan Weinreich University of Vienna
Peter Wirnsberger DeepMind
Qichen Xu KTH Stockholm
At a glance
Type:
Graduate School
When:
July 11, 2022 — July 22, 2022
Where:
ESI Boltzmann Lecture Hall
Organizer(s):
Christoph Dellago (U of Vienna)
Ulrike Diebold (TU Vienna)
Leticia Gonzalez Herrero (U of Vienna)
Jani Kotakoski (U of Vienna)
Christiane Losert-Valiente Kroon (U of Vienna)
More:
Website