Starts 16 May 2022
Ends 20 May 2022
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Machine Learning in Electronic Structure and Molecular Dynamics | (smr 3702)
Kigali - Rwanda
Strada Costiera, 11
I - 34151 Trieste (Italy)
This is the culminating workshop of the Machine Learning (ML) in Electronic Structure (ES) and Molecular Dynamics (MD) training workshop that began in October 2021. The focus is to train African researchers in ML and its application in ES and MD.
Description:
A recap of the Python language, ML and Materials Databases will be made. This will be quickly followed by joint projects in materials discovery. Each day will feature hands on training sessions as well as two to three talks from experts in the eld presenting their research.
Topics:
• Introduction to the Python language
• Introduction to Machine Learning (ML)
• Databases for Materials Discovery
• Machine Learning for force elds development for
• MolecularDynamics(MD)Simulations
• Machine Learning in Electronic Structure (ES)
Speakers:
O. Akin-Ojo (ICTP-EAIFR & Univ. Rwanda)
J. Behler (Univ. Göttingen, Germany)
M. Ceriotti (EPFL, Switzerland)
B. Cheng (IST. Austria)
G. Csanyi (Univ. Cambridge, U.K.)
S. Cutarolo (Duke Univ. U.S.A.)
S. de Gironcolli (SISSA, Trieste, Italy)
L. Ghiringhelli (FHI, Berlin, Germany)
A. Jain (LBNL, USA)
E. Kucukbenli (Boston Univ., USA)
A. Laio (SISSA, Italy)
M. Parrinello (ETH, Zurich)
G-M. Rignanese (UCL, Belgium)
M. Scheffler (Fritz-Haber MPG, Germany
Y. Shaidu (UC Berkely, U.S.A.)
Priority will be given to those who actively participated in the ML training from October 2021.
There is no registration fee.
**DEADLINE: 15/04/2022**
**DEADLINE: 15/04/2022**
Organizers
Omololu Akin-Ojo (ICTP-EAIFR, Univ. Rwanda), Alessandro Laio (SISSA Trieste Italy), Steve Ndengue (ICTP-EAIFR, Univ. Rwanda), Gian-Marco Rignanesse (Universite Catholique de Louvain (UCL), Belgium), Matthias Scheffler (Fritz-Haber-Institut der Max-Planck-Gesellschaft), ICTP Scientific Contact: Ali Hassanali (ICTP)
