Conference Schedule

Toronto • Aug 22 — 25, 2023
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Toronto • Aug 22 — 25, 2023
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Toronto • Aug 22 — 25, 2023
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Toronto • Aug 22 — 25, 2023
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Toronto • Aug 22 — 25, 2023
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01
Venue

This year’s conference will be held at the following venues in Toronto. Schedule is subject to change.

Bahen Centre for Information Technology
Myhal Centre for Engineering Innovation and Entrepreneurship
01
Day 2 — Aug 23
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Filter by Topic
9:00 am
Aug 23
9:00 am
30 min
Myhal Centre, Atrium
Registration and breakfast
Light breakfast will be provided
9:45 am
Aug 23
9:45 am
15 mins
Myhal Centre, MY 150
Welcome & opening remarks

Speakers:

  • Vince Tropepe | Vice-Dean, Research & Infrastructure, Faculty of Arts & Science, University of Toronto
  • Alán Aspuru-Guzik | Director, Acceleration Consortium
10:00 am
Aug 23
10:00 am
30 min
Myhal Centre, room 150
Accelerated experimentation
Keynote
Joint Keynote: AI-driven large-scale automated scientific experimental laboratories

Joint Presenters:

  • Rick L. Stevens | Associate laboratory director for the computing, environment and life sciences, Argonne National Laboratory
  • Ian Foster | Director of data science and learning division, Argonne National Laboratory
10:30 am
Aug 23
10:30 am
30 mins
Myhal Centre, MY 150
AI tools
Keynote
Keynote: Closing the experiment-simulation gap for energy materials
Automation, data, and machine learning provide new avenues to bridge the gap between experiment and computation. This talk will explore how projects at the Toyota Research Institute and university partners aim to close this gap and accelerate discovery, particularly for energy materials. Highlighted work includes tools developed for the creation and analysis of large experimental datasets, and models designed to be actionable and interpretable.
  • Presenter: Linda Hung | Manager in the Energy & Materials division at Toyota Research Institute
  • Toyota Research Institute (TRI) conducts research to amplify human ability, focusing on making our lives safer and more sustainable
11:00 am
Aug 23
11:00 am
30 min
Bahen Centre, Atrium
Break
Coffee break and poster viewing in Bahen Centre
11:30 am
Aug 23
11:30 am
45 mins
Bahen Centre, BA 1160
AI tools
Session
Session: Large language models for science

Moderator:

  • Anatole von Lilienfeld

Presenters:

  • Philippe Schwaller | Language models for chemical synthesis
  • Marta Skreta | Language models in the lab
  • Andrew White | Language is the future of chemistry
11:30 am
Aug 23
11:30 am
1 hr 15 mins
Bahen Centre, BA 1130
Energy / sustainability
Session
Session: Accelerating the discovery of materials for decarbonization

Moderator:

  • Brandon Sutherland

Presenters:

  • Tejs Vegge | Accelerating power-to-X materials discovery
  • Kourosh Malek | GC-MAC: Accelerating the design and integration of electrocatalyst materials for hydrogen technology
  • Mohamad Moosavi | AI-guided materials design for negative emission technologies
  • Robert Black | Autonomous closed-loop material discovery and process optimization of electrocatalysis materials
  • Larry Zitnick | The Open Catalyst Project
11:30 am
Aug 23
11:30 am
1 hr 15 mins
Bahen Centre, BA 1180
AI tools
Session
Session: AI for science across industry

Moderator:

  • Padraic Foley

Presenters:

  • Daniela Blanco | Efficiency unleashed: Leveraging AI and small data for better chemistry
  • Gerit Brandenburg and Marko Hermsen | Scaling digital chemistry solutions for accelerated material discoveries at EMD
  • Karin Strauss | Science acceleration with AI
  • Santiago Miret | Leveraging open research for large-scale industry challenges in science & AI
12:15 pm
Aug 23
12:15 pm
30 mins
Bahen Centre, Room BA 1160
AI tools
Panel
Panel: Language models in chemistry and materials science

Moderator:

  • Anatole von Lilienfeld

Panellists:

  • Philippe Schwaller
  • Alán Aspuru-Guzik
  • Andrew White
12:45 pm
Aug 23
12:45 pm
1 hr 15 mins
Myhal Centre, Atrium
Break
Lunch and poster viewing in Myhal Centre
Lunch will be provided
2:00 pm
Aug 23
2:00 pm
1 hr
Bahen Centre, BA 1160
Accelerated experimentation
Session
Session: Part 1 | Toward self-driving labs for materials discovery

Moderator:

  • Cosima Boswell-Koller

Presenters:

  • Tonio Buonassisi | Progress toward closing the "materials quality gap" between high-throughput and traditional synthesis methods
  • Mahshid Ahmadi | Accelerating the transition from lab to fab via high-throughput automated synthesis and characterization of metal halide perovskites
  • Luke Baldwin | Continuous Flow Chemistry and Bayesian Optimization to Facilitate the Synthesis of Pyridinium Salts
2:00 pm
Aug 23
2:00 pm
1 hr
Bahen Centre, BA 1130
AI tools
Session
Session: Material representation, property prediction, and optimization

Moderator:

  • Kris Reyes

Presenters:

  • Olga Wodo | Microstructure informatics for accelerated discovery
  • Marcus Noack | Advanced gaussian process function approximation for uncertainty quantification and autonomous experimentation
  • Olexandr Isayev | Navigating CMU cloud lab experimentation with reinforcement learning agents
  • Bryce Meredig | Measuring and accelerating machine learning-driven materials design
3:00 pm
Aug 23
3:00 pm
30 mins
Bahen Centre, Atrium
Break
Coffee break and poster viewing in Bahen Centre
3:30 pm
Aug 23
3:30 pm
1 hr 15 mins
Bahen Centre, BA 1160
Other
Panel
Panel: Training and education with AI and robotics

Moderator:

  • Christine Allen

Panellists:

  • Sterling Baird
  • Benji Maruyama
  • Chandra Singh
  • Flora Wan
3:30 pm
Aug 23
3:30 pm
1 hr 15 mins
Bahen Centre, BA 1130
Responsible discovery
Session
Session: Ethical implications of Self Driving Labs and the concept of “ethical substance”

Presenters:

  • M. Murphy | Addressing the ethical dilemmas of SDLS and AI for substance discovery: Collaboration, sustainability, and Indigenous knowledges
  • Syed Ishtiaque Ahmed | What is “self” in self-driving labs?
  • Kristen Bos | From an Indigenous perspective, what should our relationship with self-driving labs be?
  • Zoë Wool | Research ethics and the push to accelerate
5:30 pm
Aug 23
5:30 pm
3 hrs
Somewhere cool! :)
Social
Social event
The social is a casual event where we encourage guests to network and unwind from the first two days. Food, drink, and atmosphere will be provided. Space is limited, but if you would like to inquire about attendance and you didn’t secure your spot during registration, please email lauravz@redstoneagency.ca. The venue will be just over a 10-mins walk from campus and transportation will be provided as needed.
10:30 am
Aug 23
10:30 am
30 mins
Myhal Centre, MY 150
AI tools
Keynote
Keynote: Closing the experiment-simulation gap for energy materials
Automation, data, and machine learning provide new avenues to bridge the gap between experiment and computation. This talk will explore how projects at the Toyota Research Institute and university partners aim to close this gap and accelerate discovery, particularly for energy materials. Highlighted work includes tools developed for the creation and analysis of large experimental datasets, and models designed to be actionable and interpretable.
  • Presenter: Linda Hung | Manager in the Energy & Materials division at Toyota Research Institute
  • Toyota Research Institute (TRI) conducts research to amplify human ability, focusing on making our lives safer and more sustainable
11:30 am
Aug 23
11:30 am
45 mins
Bahen Centre, BA 1160
AI tools
Session
Session: Large language models for science

Moderator:

  • Anatole von Lilienfeld

Presenters:

  • Philippe Schwaller | Language models for chemical synthesis
  • Marta Skreta | Language models in the lab
  • Andrew White | Language is the future of chemistry
11:30 am
Aug 23
11:30 am
1 hr 15 mins
Bahen Centre, BA 1180
AI tools
Session
Session: AI for science across industry

Moderator:

  • Padraic Foley

Presenters:

  • Daniela Blanco | Efficiency unleashed: Leveraging AI and small data for better chemistry
  • Gerit Brandenburg and Marko Hermsen | Scaling digital chemistry solutions for accelerated material discoveries at EMD
  • Karin Strauss | Science acceleration with AI
  • Santiago Miret | Leveraging open research for large-scale industry challenges in science & AI
12:15 pm
Aug 23
12:15 pm
30 mins
Bahen Centre, Room BA 1160
AI tools
Panel
Panel: Language models in chemistry and materials science

Moderator:

  • Anatole von Lilienfeld

Panellists:

  • Philippe Schwaller
  • Alán Aspuru-Guzik
  • Andrew White
2:00 pm
Aug 23
2:00 pm
1 hr
Bahen Centre, BA 1130
AI tools
Session
Session: Material representation, property prediction, and optimization

Moderator:

  • Kris Reyes

Presenters:

  • Olga Wodo | Microstructure informatics for accelerated discovery
  • Marcus Noack | Advanced gaussian process function approximation for uncertainty quantification and autonomous experimentation
  • Olexandr Isayev | Navigating CMU cloud lab experimentation with reinforcement learning agents
  • Bryce Meredig | Measuring and accelerating machine learning-driven materials design
10:00 am
Aug 23
10:00 am
30 min
Myhal Centre, room 150
Accelerated experimentation
Keynote
Joint Keynote: AI-driven large-scale automated scientific experimental laboratories

Joint Presenters:

  • Rick L. Stevens | Associate laboratory director for the computing, environment and life sciences, Argonne National Laboratory
  • Ian Foster | Director of data science and learning division, Argonne National Laboratory
2:00 pm
Aug 23
2:00 pm
1 hr
Bahen Centre, BA 1160
Accelerated experimentation
Session
Session: Part 1 | Toward self-driving labs for materials discovery

Moderator:

  • Cosima Boswell-Koller

Presenters:

  • Tonio Buonassisi | Progress toward closing the "materials quality gap" between high-throughput and traditional synthesis methods
  • Mahshid Ahmadi | Accelerating the transition from lab to fab via high-throughput automated synthesis and characterization of metal halide perovskites
  • Luke Baldwin | Continuous Flow Chemistry and Bayesian Optimization to Facilitate the Synthesis of Pyridinium Salts
There are no sessions on this date that correspond with this topic. Please select another date to try your search again.
11:30 am
Aug 23
11:30 am
1 hr 15 mins
Bahen Centre, BA 1130
Energy / sustainability
Session
Session: Accelerating the discovery of materials for decarbonization

Moderator:

  • Brandon Sutherland

Presenters:

  • Tejs Vegge | Accelerating power-to-X materials discovery
  • Kourosh Malek | GC-MAC: Accelerating the design and integration of electrocatalyst materials for hydrogen technology
  • Mohamad Moosavi | AI-guided materials design for negative emission technologies
  • Robert Black | Autonomous closed-loop material discovery and process optimization of electrocatalysis materials
  • Larry Zitnick | The Open Catalyst Project
There are no sessions on this date that correspond with this topic. Please select another date to try your search again.
There are no sessions on this date that correspond with this topic. Please select another date to try your search again.
There are no sessions on this date that correspond with this topic. Please select another date to try your search again.
3:30 pm
Aug 23
3:30 pm
1 hr 15 mins
Bahen Centre, BA 1130
Responsible discovery
Session
Session: Ethical implications of Self Driving Labs and the concept of “ethical substance”

Presenters:

  • M. Murphy | Addressing the ethical dilemmas of SDLS and AI for substance discovery: Collaboration, sustainability, and Indigenous knowledges
  • Syed Ishtiaque Ahmed | What is “self” in self-driving labs?
  • Kristen Bos | From an Indigenous perspective, what should our relationship with self-driving labs be?
  • Zoë Wool | Research ethics and the push to accelerate
There are no sessions on this date that correspond with this topic. Please select another date to try your search again.
3:30 pm
Aug 23
3:30 pm
1 hr 15 mins
Bahen Centre, BA 1160
Other
Panel
Panel: Training and education with AI and robotics

Moderator:

  • Christine Allen

Panellists:

  • Sterling Baird
  • Benji Maruyama
  • Chandra Singh
  • Flora Wan
9:00 am
Aug 23
30 min
Myhal Centre, Atrium
Registration and breakfast
Light breakfast will be provided
9:45 am
Aug 23
15 mins
Myhal Centre, MY 150
Welcome & opening remarks

Speakers:

  • Vince Tropepe | Vice-Dean, Research & Infrastructure, Faculty of Arts & Science, University of Toronto
  • Alán Aspuru-Guzik | Director, Acceleration Consortium
10:00 am
Aug 23
30 min
Myhal Centre, room 150
Accelerated experimentation
Keynote
Joint Keynote: AI-driven large-scale automated scientific experimental laboratories

Joint Presenters:

  • Rick L. Stevens | Associate laboratory director for the computing, environment and life sciences, Argonne National Laboratory
  • Ian Foster | Director of data science and learning division, Argonne National Laboratory
10:30 am
Aug 23
30 mins
Myhal Centre, MY 150
AI tools
Keynote
Keynote: Closing the experiment-simulation gap for energy materials
Automation, data, and machine learning provide new avenues to bridge the gap between experiment and computation. This talk will explore how projects at the Toyota Research Institute and university partners aim to close this gap and accelerate discovery, particularly for energy materials. Highlighted work includes tools developed for the creation and analysis of large experimental datasets, and models designed to be actionable and interpretable.
  • Presenter: Linda Hung | Manager in the Energy & Materials division at Toyota Research Institute
  • Toyota Research Institute (TRI) conducts research to amplify human ability, focusing on making our lives safer and more sustainable
11:00 am
Aug 23
30 min
Bahen Centre, Atrium
Break
Coffee break and poster viewing in Bahen Centre
11:30 am
Aug 23
45 mins
Bahen Centre, BA 1160
AI tools
Session
Session: Large language models for science

Moderator:

  • Anatole von Lilienfeld

Presenters:

  • Philippe Schwaller | Language models for chemical synthesis
  • Marta Skreta | Language models in the lab
  • Andrew White | Language is the future of chemistry
11:30 am
Aug 23
1 hr 15 mins
Bahen Centre, BA 1130
Energy / sustainability
Session
Session: Accelerating the discovery of materials for decarbonization

Moderator:

  • Brandon Sutherland

Presenters:

  • Tejs Vegge | Accelerating power-to-X materials discovery
  • Kourosh Malek | GC-MAC: Accelerating the design and integration of electrocatalyst materials for hydrogen technology
  • Mohamad Moosavi | AI-guided materials design for negative emission technologies
  • Robert Black | Autonomous closed-loop material discovery and process optimization of electrocatalysis materials
  • Larry Zitnick | The Open Catalyst Project
11:30 am
Aug 23
1 hr 15 mins
Bahen Centre, BA 1180
AI tools
Session
Session: AI for science across industry

Moderator:

  • Padraic Foley

Presenters:

  • Daniela Blanco | Efficiency unleashed: Leveraging AI and small data for better chemistry
  • Gerit Brandenburg and Marko Hermsen | Scaling digital chemistry solutions for accelerated material discoveries at EMD
  • Karin Strauss | Science acceleration with AI
  • Santiago Miret | Leveraging open research for large-scale industry challenges in science & AI
12:15 pm
Aug 23
30 mins
Bahen Centre, Room BA 1160
AI tools
Panel
Panel: Language models in chemistry and materials science

Moderator:

  • Anatole von Lilienfeld

Panellists:

  • Philippe Schwaller
  • Alán Aspuru-Guzik
  • Andrew White
12:45 pm
Aug 23
1 hr 15 mins
Myhal Centre, Atrium
Break
Lunch and poster viewing in Myhal Centre
Lunch will be provided
2:00 pm
Aug 23
1 hr
Bahen Centre, BA 1160
Accelerated experimentation
Session
Session: Part 1 | Toward self-driving labs for materials discovery

Moderator:

  • Cosima Boswell-Koller

Presenters:

  • Tonio Buonassisi | Progress toward closing the "materials quality gap" between high-throughput and traditional synthesis methods
  • Mahshid Ahmadi | Accelerating the transition from lab to fab via high-throughput automated synthesis and characterization of metal halide perovskites
  • Luke Baldwin | Continuous Flow Chemistry and Bayesian Optimization to Facilitate the Synthesis of Pyridinium Salts
2:00 pm
Aug 23
1 hr
Bahen Centre, BA 1130
AI tools
Session
Session: Material representation, property prediction, and optimization

Moderator:

  • Kris Reyes

Presenters:

  • Olga Wodo | Microstructure informatics for accelerated discovery
  • Marcus Noack | Advanced gaussian process function approximation for uncertainty quantification and autonomous experimentation
  • Olexandr Isayev | Navigating CMU cloud lab experimentation with reinforcement learning agents
  • Bryce Meredig | Measuring and accelerating machine learning-driven materials design
3:00 pm
Aug 23
30 mins
Bahen Centre, Atrium
Break
Coffee break and poster viewing in Bahen Centre
3:30 pm
Aug 23
1 hr 15 mins
Bahen Centre, BA 1160
Other
Panel
Panel: Training and education with AI and robotics

Moderator:

  • Christine Allen

Panellists:

  • Sterling Baird
  • Benji Maruyama
  • Chandra Singh
  • Flora Wan
3:30 pm
Aug 23
1 hr 15 mins
Bahen Centre, BA 1130
Responsible discovery
Session
Session: Ethical implications of Self Driving Labs and the concept of “ethical substance”

Presenters:

  • M. Murphy | Addressing the ethical dilemmas of SDLS and AI for substance discovery: Collaboration, sustainability, and Indigenous knowledges
  • Syed Ishtiaque Ahmed | What is “self” in self-driving labs?
  • Kristen Bos | From an Indigenous perspective, what should our relationship with self-driving labs be?
  • Zoë Wool | Research ethics and the push to accelerate
5:30 pm
Aug 23
3 hrs
Somewhere cool! :)
Social
Social event
The social is a casual event where we encourage guests to network and unwind from the first two days. Food, drink, and atmosphere will be provided. Space is limited, but if you would like to inquire about attendance and you didn’t secure your spot during registration, please email lauravz@redstoneagency.ca. The venue will be just over a 10-mins walk from campus and transportation will be provided as needed.