The 8th i-CoMSE Workshop: Machine Learning for Molecular Science
Description: This workshop will provide an overview of machine learning tools applied to study molecular systems with a focus on computational molecular science. It will feature a mix of lectures and hands-on exercises running machine learning algorithms with molecular simulations on national supercomputing resources. The workshop will include a session on diversity, equity, and inclusion aspects of computational sciences. Sessions will be taught in Software Carpentry style, with approximately equal time divided between lectures and hands-on programming exercises.
Registration: The application for the workshop can be accessed here.
Expected number of participants: 40
Equipment Needed: Students will need a laptop and have Jupyter notebooks installed. Computing resources for performing exercises will be provided in Bridges-2 at PSC.
Eligibility: Participation is limited to graduate students, undergraduate students (with junior or senior standing), postdoctoral, early career faculty, with some experience in molecular simulations and Python scripting. Applicants must be associated with an US based educational institution, national lab, or industry.
Registration Fee: The registration fee will be waived for participants from non-PhD-granting and primary undergraduate institutions (PUIs).
Financial Support: Financial support is available to cover housing (in university dormitory) for some non-local participants. A limited number of travel stipends (up to $500) are available to help broaden participation.
Organizers/Instructors:
- Yamil Colón, Notre Dame University
- Eric Jankowski, Boise State University
- Neeraj Rai, Mississippi State University
- Sapna Sarupria, University of Minnesota Twin Cities
- Jindal Shah, Oklahoma State University
- Michael Shirts, University of Colorado, Boulder
- Shuwen Yue, Cornell University