MS2F - Advances in Methods and Applications in Computational Chemistry and Materials Science
Session Chair
Event TypeMinisymposium
Chemistry and Materials
Life Sciences
Physics
TimeMonday, June 2716:00 - 18:00 CEST
LocationNairobi Room
DescriptionThe COVID-19 pandemic put a pause to holding scientific meetings and exchanging scientific ideas. This minisymposium is a timely opportunity to catch up with current developments in method and software development related to computational chemistry and materials sciences, as well as novel applications they are being applied to. The minisymposium will highlight opportunities for scientific discoveries made possible via the emerging synergies between recent advances in high performance computing software and hardware development, method development, big data science and artificial intelligence/machine learning for computational chemistry and materials sciences applications. The workshop will feature three speakers and a discussion panel comprised of speakers and organizers.
Presentations
16:00 - 16:30 CEST | Neural Networks Learning Quantum Chemistry | |
16:30 - 17:00 CEST | How Much Chemistry do Machine-Learning Models Learn? | |
17:00 - 17:30 CEST | Exascale Simulations via the Submatrix Matrix Method | |
17:30 - 18:00 CEST | Panel Discussion |