International Workshop on Machine Learning for Materials Science

This workshop brings together key scientific players who are likely to deepen the understanding of materials science, computational physics and chemistry as well as machine learning.

Time: Wednesday-Thursday, 8-9 March, 2017
Place: ''Opetustila 1'' at Innopoli 3, Vaisalantie 8, Espoo, Finland

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Download the workshop report here (PDF, 163 KB).

WORKSHOP SCHEDULE

DAY 1: Wednesday, 8 March 2017

09:00 - 09:15 Greetings and Introduction
Dr. Lasse Laurson (Coordinator of AScI thematic research program on Machine learning strategies for optimising frictional properties of materials, Aalto University, Espoo, Finland)

09:15 - 10:00 Accurate Machine Learning Predictions for Materials Properties
Dr. Matthias Rupp (Theory Department, Fritz-Haber-Institute of the Max-Planck-Society, Germany)

10:00-10:30 Analysing and Rationalising Molecular and Materials Databases Using Machine-Learning
Dr. Sandip De (COSMO, EPFL, Switzerland)

10:30-11:00 COFFEE BREAK

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11:00-11:45 Learning Interactions from Microscopic Observables
Dr. Albert Bartok-Partay (Rutherford Appleton Laboratory, Science and Technology Facilities Council, United Kingdom)

11:45-12:15 Machine Learning for Structural Diversity in Amorphous Carbon
Dr. Volker Deringer (Engineering Laboratory, University of Cambridge, United Kingdom)

12:15-13:30 LUNCH BREAK

lunch

13:30-14:15 Machine Learning meets Quantum Chemistry
Prof. Klaus-Robert Müller (Institute of Software Engineering and Theoretical Computer Science, Technische Universität Berlin, Germany)

14:15-14:45 Efficient Bayesian Inference of Surface Adsorbate Structure
Dr. Milica Todorovic (COMP, Aalto University)

14:45-15:15 COFFEE BREAK + DISCUSSION

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15:15-18:00 POSTER session

20:00- Workshop Dinner, Helsinki city center

dinner

 

DAY 2: Thursday, 9 March 2017

09:00 - 09:45 Machine learning and dissimilarity analysis predict new strategies for bottom-up nanomaterials assembly
Dr. Daniel Packwood (Institute for Integrated Cell-Material Sciences (iCeMS), Kyoto University, and Japan Science and Technology Organization (PRESTO), Japan)

09:45-10:15 Minimum Energy Path Calculations with Gaussian Processes
Olli-Pekka Koistinen (Dept. of Computer Science, Aalto University)

10:15-10:45 COFFEE BREAK

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10:45-11:30 Materials Design on Three Fronts: Fundamental Theory, Automation, and Machine Learning
Dr. Rickard Armiento (Department of Physics, Chemistry and Biology, Linköping University, Sweden)

11:30-12:00 Dynamical Simulation of Infrared Spectra with Neural Network Potentials
Michael Gastegger (University of Vienna, Austria)

12:00-12:15 CLOSING REMARKS

 

 

ABSTRACT BOOK:
A booklet with all workshop abstracts is available online (only), here!

REGISTRATION:
The registration is now closed.

WORKSHOP DINNER:
All the speakers are invited to join the organisers for dinner on the evening of March 8th. Other participants are welcome to join as well, after filling the online form and paying the 50€ fee by 20 February 2017.

ACOMMODATION:
The closest hotels are the Radisson Blu and Aalto Inn, located on campus, followed by Sokos hotel in the nearby Tapiola urban center.

TRANSPORTATION:
The public transpostation system offers a journey planner service at: www.reittiopas.fi/en
For those staying in Helsinki city center, bus 103 from Kamppi is the most convenient route. The ticket costs 5.50€ one way.
Bus 550 (direction Itäkeskus) from Tapiola also stops close to the venue. From the Aalto Inn/Radisson, one can take bus 103, 510 and 550 (or 20 min walk). These cost 3.20€ one way.
All tickets can be bought from the driver with cash: 20€ notes and larger are not accepted.

 

ORGANIZERS:

Dr. Filippo Federici Canova <filippo.federici [at] aalto [dot] fi>

Dr. Martha Arbayani Zaidan <martha.a.zaidan [at] aalto [dot] fi>

 

THIS EVENT IS SPONSORED BY: 

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Page content by: | Last updated: 17.03.2017.