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2nd CEMDI Symposium

📅 May 27-29, 2024 📍 Place Bonaventure, INRS-EMT, Montreal, QC Place Bonaventure, Montréal

In collaboration with

Perspectives on AI in Materials Science (PAIMS), Japan

Organizers: Prof. Kulbir Ghuman (INRS), Prof. Tarek Djerafi (INRS), M. Yasser Bouchareb (INRS), Dr. Jose Madrid (INRS)
Perspectives sur l'IA en science des matériaux

Event Photos Photos de l'événement

About the Symposium À propos du symposium

The 2nd CEMDI Annual Symposium, held in collaboration with the "Perspectives on AI in Materials Science (PAIMS) workshop" from Japan, was a remarkable convergence of brilliant minds from six countries (Japan, South Africa, France, Germany, US, and Canada).

Renowned speakers delivered talks focusing on computational materials science techniques and artificial intelligence, showcasing recent advances in accelerating the design and discovery of advanced energy materials. The symposium also featured an inspiring exhibition by artist Chico Tongi, who created art from recycled materials, promoting sustainable living.

Three PhD students were awarded Best Oral Presentation awards, sponsored by the Royal Society of Chemistry. This event also marked the beginning of a long-term collaboration between Quebec and Japan.

Thanks to generous sponsors — Encellin, the Royal Society of Chemistry, PRIMA Québec, and IEEE — registration was free for all attendees.

Le 2e Symposium annuel CEMDI, organisé en collaboration avec l'atelier « Perspectives on AI in Materials Science (PAIMS) » du Japon, a été une convergence remarquable d'esprits brillants de six pays (Japon, Afrique du Sud, France, Allemagne, États-Unis et Canada).

Day 1 — Monday, May 27 Jour 1 — Lundi 27 mai

8:30 AM Registration & Coffee Inscription et café
9:30 AM

François Légaré

INRS-EMT

Welcome Note Mot de bienvenue

9:40 AM

Kulbir Ghuman

INRS-EMT, Université du Québec

CEMDI CEMDI

9:50 AM

Chico Tongi

Toronto

A nod to art and science: Eco-conscious living

Session I: Advancements in Sustainable Materials and AI Chair: François Vidal
10:00 AM

Normand Mousseau

Université de Montréal

Rethinking materials for a sustainable world

10:30 AM

Jonathan Shock

University of Cape Town, South Africa

Rich Embeddings and Deep Understanding

11:00 AM

Laurent Karim Béland

Queen's University, Canada

Machine-learning interatomic potentials through small-cell active learning

11:30 AM Coffee Break Pause café
Session II: Data-Driven Innovations in Materials Science Chair: Chandra Veer Singh
11:40 AM

Tom K. Woo

University of Ottawa, Canada

Flies in the ointment of materials databases

12:10 PM

Hartmut Schlenz

Forschungszentrum Juelich, Germany

Machine learning for the prediction of physical properties of cubic oxide perovskite

12:40 PM

Daniel Packwood

Kyoto University, Japan

Data science for stem cell science and bio-marker sensor research

1:10 PM Lunch Déjeuner
Session III: Machine Learning for Catalyst Design Chair: Alex Hernandez-Garcia
2:10 PM

Pierluigi Cesana

Kyushu University, Japan

Fully automatized optimization of ring-opening reactions via 2-step machine learning

2:40 PM

Parastoo Agharezaei

INRS-EMT, Université du Québec

CuNi-based single-atom alloy catalysts for nitrogen reduction reaction: A DFT study

3:00 PM

Mehdi Shamekhi

Concordia University, Canada

Machine learning assisted screening and DFT characterization of bimetallic alloy catalysts

3:20 PM Coffee Break Pause café
Session IV: Computational Innovations in CO₂ Capture Chair: Paul O'Brien
3:40 PM

Aleksandar Staykov

Kyushu University, Japan

Design of Direct Air Capturing Polymer Membranes Using First-principle Simulations and ML

4:10 PM

Josette El Haddad

National Research Council, Canada

Sensing solutions show the way for clean energy advances

4:40 PM

Conrard G. T. Feugmo

University of Waterloo, Canada

Computational screening for improved electrochemical CO₂ capture

5:10 PM

Tanay Sahu

York University, Canada

Unlocking Metal Surface Charges for Green CO₂ Capture: A First-Principle Study

Day 2 — Tuesday, May 28 Jour 2 — Mardi 28 mai

Session I: Advancements in Sustainable Materials and AI Chair: Sergei Manzhos
9:00 AM

Chandra Veer Singh

University of Toronto

Design and optimization of energy materials using high throughput DFT and AI techniques

9:30 AM

Linh Thi Hoai Nguyen

Kyushu University, Japan

Applied math for AI-driven design of photo-resisting polymers

10:00 AM

Hector Orozco et al.

Clemex Technologies Inc., Canada

Making automated image analysis simple with AI

10:30 AM

Alex Hernandez-Garcia

Mila, Université de Montréal

Crystal-GFN: generative ML to discover materials with desirable properties

11:00 AM Coffee Break Pause café
Session II: Data-Driven Innovations in Materials Science Chair: Jonathan Shock
11:20 AM

Sergei Manzhos

Tokyo Institute of Technology, Japan

Hybrid approaches to ML from small datasets for materials informatics

11:50 AM

Edern Menou

Safran Tech Inc., France

Machine-learning and thermodynamics-driven alloy design for aerospace

12:20 PM

Normand Mousseau

Université de Montréal

Challenges and advances in the modeling of activated processes

12:50 PM

Zhiwen Chen

University of Toronto

Theoretical design of high entropy alloy catalysts

1:10 PM Lunch Déjeuner
Session III: Machine Learning for Catalyst Design Chair: Gabriel Antonius
2:10 PM

Kirk H. Bevan

McGill University, Canada

ML-driven design of single atom alloys for catalysis

2:40 PM

Takaya Fujisaki

Shimane University, Japan

Strategy to Reduce Activation Barrier in Methane Dissociation Using Ni Nanoparticles on CeO₂

3:10 PM

Xue Yao

University of Toronto

Structural Self-Regulation-Promoted NO Electroreduction on Single Atoms

3:30 PM

Samuel Lemay

UQTR (IRH), Canada

Simulations numériques de catalyseurs moléculaires pour la production d'hydrogène

3:50 PM Coffee Break Pause café
Session IV: Computational Exploration of Thin Film Materials Chair: Kirk Bevan
4:00 PM

Grace Wei

Encellin Inc.

Polymeric thin film applications in healthcare: enabling living medicine

4:30 PM

Brahim Ahammou

INRS-EMT, Université du Québec

Exploring SiNx Thin Film Deposition and Mechanical Properties Through Molecular Dynamics

4:50 PM

Youssef Ouldhnini

INRS-EMT, Université du Québec

Composition-Structure-Mechanical Properties of Amorphous Hydrogenated Silicon Nitride

5:10 PM

Daniel Gueckelhorn

INRS-EMT, Université du Québec

Strain-induced enhancement of surface self-diffusion on strontium titanate (001) surfaces

Day 3 — Wednesday, May 29 Jour 3 — Mercredi 29 mai

Session I: Advancements in Sustainable Materials and AI Chair: Anderson Avila
9:00 AM

Gabriel Antonius

UQTR

Machine learning assisted canonical sampling for hydrogen storage materials

9:30 AM

Hao Sun

Queen's University, Canada

An interatomic potential for sodium and chlorine in both neutral and ionic states

9:50 AM

Nasim Soltani

INRS-EMT, Université du Québec

A Regularized Reputation Mechanism for Enhanced Fairness in Federated Learning

10:10 AM

Yasser Bouchareb

INRS-EMT, Université du Québec

Screening binary alloys for CO₂ photo capture using GNN

10:30 AM

Jiapeng Zhang

University of Toronto

Dual Model Carbon Engineering in Kilogram-scale Si/C Composites for Stable Lithium Storage

10:50 AM Coffee Break Pause café
Session II: IEEE Lectures Session II: Conférences IEEE Chair: Alain Pignolet
11:00 AM

Clara Santato

Polytechnique Montreal, Canada

IEEE Lecture Conférence IEEE

11:30 AM

Shervin Vakili

INRS-EMT, Université du Québec

IEEE Lecture Conférence IEEE

12:00 PM RSC Oral Presentation Awards Prix de présentation orale RSC
12:10 PM Closing Remarks Remarques de clôture

Speakers Conférenciers

N

Normand Mousseau

Université de Montréal

Rethinking materials for a sustainable world

J

Jonathan Shock

University of Cape Town, South Africa

Rich Embeddings and Deep Understanding

L

Laurent Karim Béland

Queen's University

Machine-learning interatomic potentials through small-cell active learning

T

Tom K. Woo

University of Ottawa

Flies in the ointment of materials databases

H

Hartmut Schlenz

Forschungszentrum Juelich, Germany

Machine learning for prediction of physical properties of cubic oxide perovskite

D

Daniel Packwood

Kyoto University, Japan

Data science for stem cell science and bio-marker sensor research

P

Pierluigi Cesana

Kyushu University, Japan

Fully automatized optimization of ring-opening reactions via 2-step machine learning

A

Aleksandar Staykov

Kyushu University, Japan

Design of Direct Air Capturing Polymer Membranes Using First-principle Simulations and ML

C

Chandra Veer Singh

University of Toronto

Design and optimization of energy materials using high throughput DFT and AI techniques

L

Linh Thi Hoai Nguyen

Kyushu University, Japan

Applied math for AI-driven design of photo-resisting polymers

A

Alex Hernandez-Garcia

Mila, Université de Montréal

Crystal-GFN: generative ML to discover materials with desirable properties

S

Sergei Manzhos

Tokyo Institute of Technology, Japan

Hybrid approaches to ML from small datasets for materials informatics

K

Kirk H. Bevan

McGill University

ML-driven design of single atom alloys for catalysis

T

Takaya Fujisaki

Shimane University, Japan

Strategy to Reduce Activation Barrier in Methane Dissociation Using Ni Nanoparticles on CeO₂

G

Gabriel Antonius

UQTR

ML-assisted canonical sampling for hydrogen storage materials

C

Clara Santato

Polytechnique Montreal

IEEE Lecture

G

Grace Wei

Encellin Inc.

Polymeric thin film applications in healthcare: enabling living medicine

C

Chico Tongi

Toronto

A nod to art and science: Eco-conscious living

T

Tanay Sahu

York University

Unlocking Metal Surface Charges for Green CO₂ Capture: A First-Principle Study

D

David Rivera

Hiroshima University

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