Félix Therrien

University of Toronto — Canada

Materials Science · Physical Sciences

6h-index353citations16works8.02yr avg
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Research Topics

Machine Learning in Materials Science(5), Microstructure and Mechanical Properties of Steels(4), Electronic and Structural Properties of Oxides(4), Magnetic Properties and Applications(3), Electron and X-Ray Spectroscopy Techniques(3)

Publications16 total

Using GNN property predictors as molecule generators
Nature Communications·2025· 14 citedOpen Access
Using GNN property predictors as molecule generators
arXiv (Cornell University)·2024· 2 citedOpen Access
The Open Catalyst 2022 (OC22) Dataset and Challenges for Oxide Electrocatalysts
ACS Catalysis·2023· 253 cited
The Open Catalyst 2022 (OC22) Dataset and Challenges for Oxide Electrocatalysts
arXiv (Cornell University)·2022· 13 citedOpen Access
Theoretical Insights for Improving the Schottky-Barrier Height at the <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline" overflow="scroll"><mml:msub><mml:mi>Ga</mml:mi><mml:mn>2</mml:mn></mml:msub><mml:msub><mml:mrow><mml:mi mathvariant="normal">O</mml:mi></mml:mrow><mml:mn>3</mml:mn></mml:msub><mml:mrow><mml:mo>/</mml:mo><mml:mi>Pt</mml:mi></mml:mrow></mml:math> Interface
Physical Review Applied·2021· 9 citedOpen Access
Metastable materials discovery in the age of large-scale computation
Applied Physics Reviews·2021· 48 cited
Schottky Barrier Height at the Ga$_2$O$_3$/Pt Interface: Theoretical Insights and the Path to Improvement
arXiv (Cornell University)·2021Open Access
Predicting Electronic Properties at Metal-Oxide Interfaces
Bulletin of the American Physical Society·2021
Matching Crystal Structures Atom-to-Atom: Applications in Material Science
Digital Collections of Colorado (Colorado State University)·2020Open Access
Minimization of Atomic Displacements as a Guiding Principle of the Martensitic Phase Transformation
Physical Review Letters·2020· 13 citedOpen Access
Matching Crystal Structures Atom-to-Atom: Applications to Phase Transitions and Interface Structures
Bulletin of the American Physical Society·2020
Description of the Martensitic Transformation Resulting From the Minimization of Atomic Displacements
arXiv (Cornell University)·2019Open Access
Replication Data for: Description of the Martensitic Transformation Resulting From the Minimization of Atomic Displacements
Harvard Dataverse·2019Open Access
Unifying Description of the Martensitic Phase Transformation From the Minimization of Atomic Displacements
2019· 1 cited
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Harvard Dataverse·2019Open Access
構造マッピングと配位解析からの多形変換の動力学予測【JST・京大機械翻訳】
Physical Review Materials·2018

Frequent Co-authors

Vladan Stevanović(11), Oleksandr Voznyy(4), Edward H. Sargent(4), Richard Tran(2), Janice Lan(2), Muhammed Shuaibi(2), Brandon M. Wood(2), Siddharth Goyal(2), Abhishek Das(2), Javier Heras‐Domingo(2), Adeesh Kolluru(2), Ammar Rizvi(2), Anuroop Sriram(2), Jehad Abed(2), Zachary W. Ulissi(2), C. Lawrence Zitnick(2), Andriy Zakutayev(2), Nima Shoghi(1), Eric B. Jones(1), Nima Shoghi(1)