AI for Multidisciplinary Exploration and Discovery (AIMED)

Workshop on Heterogeneous Catalysis

Oct. 10–11, 2024

Big Ten Conference Center (hybrid)

Registration

Program

Day 1 - Oct. 10, 2024

7:00 - 8:00 am: Breakfast

8:00 - 8:10 am: Opening Remarks

AM 1 Session: Foundational Models

Chair: John Kitchin, Carnegie Mellon University

8:10 - 8:30 am: Boris Kozinsky, Harvard University

8:30 - 8:50 am: Andy Peterson, Brown University

8:50 - 9:10 am: Shyue Ping Ong, University of California, San Diego

9:10 - 9:30 am: Marc Porosoff, University of Rochester

9:30 - 9:50 am: Amir Barati Farimani, Carnegie Mellon University

9:50 - 10:20 am: 30 mins Coffee Break

AM 2 Session: Materials & Knowledge Discovery

Chair: Hongliang Xin, Virginia Tech

10:20 - 10:40 am: Anatoly Frenkel, Stony Brook University

10:40 - 11:00 am: Bryan Goldsmith, University of Michigan

11:00 - 11:20 am: Randall Meyer, ExxonMobil

11:20 - 11:40 am: Kirsten Winther, SLAC/Stanford University

11:40 - 12:00 pm: Hao Li, Tohoku University

12:00 - 1:30 pm: Lunch

PM 1 Session: Data & Software Infrastructures

Chair: Núria López, Institute of Chemical Research of Catalonia

1:30 - 1:50 pm: Johannes Voss, SLAC/Stanford University

1:50 - 2:10 pm: Andrew Rosen, Princeton University

2:10 - 2:30 pm: Kamal Choudhary, National Institute of Standards and Technology

2:30 - 2:50 pm: Joseph Montoya, Toyota Research Institute

2:50 - 3:10 pm: Núria López, Institute of Chemical Research of Catalonia (ICIQ)

3:10 - 3:40 pm: 30 mins Coffee Break

PM 2 Session: Future Labs

Chair: Neil Schweitzer, Northwestern University

3:40 - 4:00 pm: Milad Abolhasani, North Carolina State University

4:00 - 4:20 pm: Shijing Sun, University of Washington

4:20 - 4:40 pm: Paulami Majumdar, Dow

4:40 - 5:00 pm: Chong Liu, University of California, Los Angeles

5:00 - 6:00 pm: Break

8:00 am Day 1 - noon Day 2: Early Career Investigators Poster Session

Brandon Bukowski, Johns Hopkins University

Fanglin Che, University of Massachusetts, Lowell

Rui Ding, University of Chicago

Kasun Gunasooriya, The University of Oklahoma

Emma Hu, Georgia Institute of Technology

Tyler Josephson, University of Maryland, Baltimore County

Ritesh Kumar, University of Chicago

Mingjie Liu, UF

Pengfei Ou, Northwestern University

Daniel Schwalbe-Koda, University of California, Los Angeles

Evan Spotte-Smith, Carnegie Mellon University

Tibor Szilvasi, University of Alabama

Siwen Wang, Toyota North America

Zisheng Zhang, University of California, Los Angeles

Jiayu Peng, MIT

Joseph Gauthier, TTU

Muhammed Shuaibi,Meta

6:00 - 9:00 pm: Dinner (Bub City)

Day 2 - Oct. 11, 2024

7:00 - 8:00 am: Breakfast

Panel 1: What are the technological gaps and barriers in AI that hinder achieving scientific breakthroughs, particularly in catalysis for a sustainable future?

Moderator: Hongliang Xin, Virginia Tech

8:00 - 8:40 am:

Long Qi, Ames Lab

Teodoro Laino, IBM Research Europe - Zurich

Zack Ulissi, Meta/CMU

Xiaonan Wang, Tsinghua University

8:40 - 9:40 am: Panel Discussion

9:40 - 10:10 am: 30 mins Coffee Break

Panel 2: What is the future of AI for driving scientific discovery, and how different stakeholders can help shape the vision in catalysis?

Moderator: John Kitchin, Carnegie Mellon University

10:10 - 10:50 am:

Suljo Linic, University of Michigan

Wendy Shaw, Pacific Northwest National Laboratory

AJ Medford, Georgia Institute of Technology

Tian Xie, Microsoft Research

10:50 - 11:50 am: Panel Discussion

11:50 am - 12:00 pm: Concluding Remarks

Organizers

Speakers/Panelists

Early Career Poster Presenters

The Workshop is Sponsored by

VenuE

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B1G Conference Center

The Big Ten Office and Conference Center is located at 5440 Park Place, Rosemont, IL 60018, and is part of Rosemont’s Parkway Bank Park.

Parking is available at the Parkway Bank Park garage. Validated rate is $7.50 per day and tickets must be validated at the Big Ten security desk prior to returning to the car for departure.

Nearby Hotels

Aloft Hotel (Marriott Brand)

Cristina Sposato 847-671-2064

The Rose Hotel (Hilton Brand)

Jeydi Guerrero 847-260-4767

Loews Chicago O’Hare

Amy Leeds 847-447-4208

DoubleTree (Hilton Brand)

Renee Alberson 847-928-7630

Embassy Suites (Hilton Brand)

Renee Alberson 847-928-7630

About

This workshop is designed to explore the evolving role of artificial intelligence (AI) for accelerating scientific exploration and discovery in heterogeneous catalysis. The event will bring together experts and enthusiasts from various disciplines to discuss the latest advancements, applications, and future potential of AI in catalysis.