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Alex Hernández-García
- > Home > Persons > Alex Hernández-García
Publications
- 2025
[i26]Lena Podina, Christina Humer, Alexandre Duval, Victor Schmidt, Ali Ramlaoui, Shahana Chatterjee
, Yoshua Bengio, Alex Hernández-García, David Rolnick, Félix Therrien:
Catalyst GFlowNet for electrocatalyst design: A hydrogen evolution reaction case study. CoRR abs/2510.02142 (2025)- 2024
[j4]Alexandre Duval, Victor Schmidt, Santiago Miret, Yoshua Bengio, Alex Hernández-García, David Rolnick:
PhAST: Physics-Aware, Scalable, and Task-Specific GNNs for Accelerated Catalyst Design. J. Mach. Learn. Res. 25: 106:1-106:26 (2024)- 2023
[c9]Alexandre Duval, Victor Schmidt, Alex Hernández-García, Santiago Miret, Fragkiskos D. Malliaros, Yoshua Bengio, David Rolnick:
FAENet: Frame Averaging Equivariant GNN for Materials Modeling. ICML 2023: 9013-9033
[i19]Alexandre Duval, Victor Schmidt, Alex Hernández-García, Santiago Miret, Fragkiskos D. Malliaros, Yoshua Bengio, David Rolnick:
FAENet: Frame Averaging Equivariant GNN for Materials Modeling. CoRR abs/2305.05577 (2023)
[i15]Alex Hernández-García, Alexandre Duval, Alexandra Volokhova, Yoshua Bengio, Divya Sharma, Pierre Luc Carrier, Michal Koziarski, Victor Schmidt:
Crystal-GFN: sampling crystals with desirable properties and constraints. CoRR abs/2310.04925 (2023)
[i14]Alvaro Carbonero, Alexandre Duval, Victor Schmidt, Santiago Miret, Alex Hernández-García, Yoshua Bengio, David Rolnick:
On the importance of catalyst-adsorbate 3D interactions for relaxed energy predictions. CoRR abs/2310.06682 (2023)- 2022
[c6]Victor Schmidt, Alexandra Luccioni, Mélisande Teng, Tianyu Zhang, Alexia Reynaud, Sunand Raghupathi, Gautier Cosne, Adrien Juraver, Vahe Vardanyan, Alex Hernández-García, Yoshua Bengio:
ClimateGAN: Raising Climate Change Awareness by Generating Images of Floods. ICLR 2022
[i8]Alexandre Duval, Victor Schmidt, Santiago Miret, Yoshua Bengio, Alex Hernández-García, David Rolnick
:
PhAST: Physics-Aware, Scalable, and Task-specific GNNs for Accelerated Catalyst Design. CoRR abs/2211.12020 (2022)- 2021
[i7]Victor Schmidt, Alexandra Sasha Luccioni, Mélisande Teng, Tianyu Zhang, Alexia Reynaud, Sunand Raghupathi, Gautier Cosne, Adrien Juraver, Vahe Vardanyan, Alex Hernández-García, Yoshua Bengio:
ClimateGAN: Raising Climate Change Awareness by Generating Images of Floods. CoRR abs/2110.02871 (2021)

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