This workshop will set the stage and define research directions for the rest of the program. The idea is to achieve a healthy mix of mathematicians, computer scientists, physicists, and chemists and establish common grounds that will enable rational applications of machine learning techniques to many-particle problems. One prominent outcome of this workshop will be the establishment of a common repository of datasets corresponding to different many-particle problems (structures and energies of molecules and materials, protein structures and dynamics, spectroscopic signatures of complex systems, etc.). These datasets can be used to assess the performance of different ML techniques during the IPAM program and beyond.
This workshop will include a poster session; a request for poster titles will be sent to registered participants in advance of the workshop.
Alán Aspuru-Guzik
(Harvard University)
Klaus-Robert Müller
(Technische Universität Berlin)
Alexandre Tkatchenko
(University of Luxembourg)