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Agenda

Location:
National Center for Supercomputing Applications (NCSA),
1205 W Clark St, Urbana, IL, 61801

All talks are located in the Auditorium and meals will be served in the Atrium.
Poster session will be in the Atrium.

All time listed on the agenda are in Central Daylight Time (CDT).

April 15, Tuesday (Day 1)

8.00 am	Registration & breakfast
9.00 am	Welcome & Logistics
9.15 am	Director’s Address and Introduction to MMLI Symposium
9.30 am	Theme Keynote “Language Agents for Scientific Discovery: Closer Than Ever, Yet Further Than We Think” Speaker: Dr. Huan Sun, The Ohio State University (in-person)
10.15 am	Break
10.30 am	Foundational AI: Where are we? Where do we want to go next? Session Introduction by Prof. Jiawei Han, MMLI (in-person)
10.45 am	“Multivariate Tails for Active Molecular Design” Speaker: Dr. Ji Won Park, Genentech (Zoom)
11.15 am	“The Virtual Lab of AI Scientists” Speaker: Dr. James Zou, Stanford University (Zoom)
11.45 am	Foundational AI Panel (hybrid) Moderator: Prof. Jiawei Han Panelists: Dr. Huan Sun, Dr. Ji Won Park and Dr. James Zou
12.15 pm	Lunch
1.15 pm	AI Scientists in Small Molecule Discovery and Development – How does it change the game? Session Introduction by Prof. Martin Burke, MMLI (in-person)
1.30 pm	Small Molecule Keynote “Predicting Chiral Structures: Data-Driven Approaches to Asymmetric Catalysis” Speaker: Dr. Jolene Reid, University of British Columbia (in-person)
2.15 pm	“Optimization of Catalytic Transformations using Bayesian Optimization in Sparse Data Regimes” Speaker: Dr. Richard Walroth, Genentech(Zoom)
2.45 pm	“Teaching Language Models to Speak Chemistry” Speaker: Dr. Philippe Schwaller, EPFL & NCCR Catalysis (Zoom)
3.15 pm	“Data Science Enabled Synthesis” Speaker: Dr. Kaid Harper, AbbVie (in-person)
3.45 pm	AI for Small Molecule Innovation Panel (hybrid) Moderator: Prof. Martin Burke Panelists: Dr. Jolene Reid, Dr. Richard Walroth, Dr. Philippe Schwaller, Dr. Kaid Harper
4.15 pm	Poster Pitches
4.40 pm	Break
5.00 pm	Poster Session
6.00 pm	Reception

April 16, Wednesday (Day 2)

8.00 am	Registration & Breakfast
9.00 am	AI Scientists in Material Discovery and Development: Where are we? Where do we want to go next? Session Introduction by Prof. Charles Schroeder, MMLI (in-person)
9.15 am	Materials Keynote “Where is the Prediction Frontier in Materials Chemistry?” Speaker: Prof. Brett Savoie, University of Notre Dame (in-person)
10.00 am	Break
10.30 am	“Engineering Electronic Polymers using Self-Driving Laboratory” Speaker: Dr. Jie Xu, Argonne National Laboratory (in-person)
11.00 am	“Automation and Machine Learning for Polymer Biomaterials” Speaker: Dr. Adam Gormley, Rutgers University (in-person)
11.30 am	AI for Materials Panel (in-person) Moderator: Prof. Charles Schroeder Panelists: Prof. Brett Savoie, Dr. Jie Xu, Dr. Adam Gormley (in-person)
12.00 pm	Poster Awards & Closing Remarks
12.30 pm	Boxed Lunch