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Faraday Discussions
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May 11, 2026
Rethinking catalysis: interpretable AI and description of real-world conditions <i>via</i> materials genes
Lucas Foppa, Matthias Scheffler
Digital Discovery
|
July 17, 2025
Coherent collections of rules describing exceptional materials identified with a multi-objective optimization of subgroups
Lucas Foppa, Matthias Scheffler
Chemical Society Reviews
|
January 16, 2015
Benzene partial hydrogenation: advances and perspectives
Lucas Foppa, Jairton Dupont
Topics in Catalysis
|
February 21, 2022
Identifying Outstanding Transition-Metal-Alloy Heterogeneous Catalysts for the Oxygen Reduction and Evolution Reactions via Subgroup Discovery
Lucas Foppa, Luca M Ghiringhelli
ACS Catalysis
|
February 27, 2025
Rules Describing CO<sub>2</sub> Activation on Single-Atom Alloys from DFT-Meta-GGA Calculations and Artificial Intelligence
Herzain I Rivera-Arrieta, Lucas Foppa
Chimia
|
April 13, 2019
What Can We Learn from First Principles Multi-Scale Models in Catalysis? The Role of the Ni/Al₂O₃ Interface in Water-Gas Shift and Dry Reforming as a Case Study
Lucas Foppa, Kim Larmier, Aleix Comas-Vives
Scientific Data
|
August 29, 2025
Materials Database from All-electron Hybrid Functional DFT Calculations
Akhil S Nair, Lucas Foppa, Matthias Scheffler
Journal of the American Chemical Society
|
December 20, 2016
Increased Back-Bonding Explains Step-Edge Reactivity and Particle Size Effect for CO Activation on Ru Nanoparticles
Lucas Foppa, Christophe Copéret, Aleix Comas-Vives
Faraday Discussions
|
May 1, 2026
Interpretable Bayesian optimization for catalyst discovery
Akhil S Nair, Lucas Foppa, Matthias Scheffler
Journal of the American Chemical Society
|
February 20, 2024
Materials Genes of CO<sub>2</sub> Hydrogenation on Supported Cobalt Catalysts: An Artificial Intelligence Approach Integrating Theoretical and Experimental Data
Ray Miyazaki, Kendra S Belthle, Harun Tüysüz, et al.
Page
of 3
Search research articles
Search
Showing results (1-10 of 24) with videos related to
Sort By:
Page
of 3
Faraday Discussions
|
May 11, 2026
Rethinking catalysis: interpretable AI and description of real-world conditions <i>via</i> materials genes
Lucas Foppa, Matthias Scheffler
Digital Discovery
|
July 17, 2025
Coherent collections of rules describing exceptional materials identified with a multi-objective optimization of subgroups
Lucas Foppa, Matthias Scheffler
Chemical Society Reviews
|
January 16, 2015
Benzene partial hydrogenation: advances and perspectives
Lucas Foppa, Jairton Dupont
Topics in Catalysis
|
February 21, 2022
Identifying Outstanding Transition-Metal-Alloy Heterogeneous Catalysts for the Oxygen Reduction and Evolution Reactions via Subgroup Discovery
Lucas Foppa, Luca M Ghiringhelli
ACS Catalysis
|
February 27, 2025
Rules Describing CO<sub>2</sub> Activation on Single-Atom Alloys from DFT-Meta-GGA Calculations and Artificial Intelligence
Herzain I Rivera-Arrieta, Lucas Foppa
Chimia
|
April 13, 2019
What Can We Learn from First Principles Multi-Scale Models in Catalysis? The Role of the Ni/Al₂O₃ Interface in Water-Gas Shift and Dry Reforming as a Case Study
Lucas Foppa, Kim Larmier, Aleix Comas-Vives
Scientific Data
|
August 29, 2025
Materials Database from All-electron Hybrid Functional DFT Calculations
Akhil S Nair, Lucas Foppa, Matthias Scheffler
Journal of the American Chemical Society
|
December 20, 2016
Increased Back-Bonding Explains Step-Edge Reactivity and Particle Size Effect for CO Activation on Ru Nanoparticles
Lucas Foppa, Christophe Copéret, Aleix Comas-Vives
Faraday Discussions
|
May 1, 2026
Interpretable Bayesian optimization for catalyst discovery
Akhil S Nair, Lucas Foppa, Matthias Scheffler
Journal of the American Chemical Society
|
February 20, 2024
Materials Genes of CO<sub>2</sub> Hydrogenation on Supported Cobalt Catalysts: An Artificial Intelligence Approach Integrating Theoretical and Experimental Data
Ray Miyazaki, Kendra S Belthle, Harun Tüysüz, et al.
Page
of 3