Publications of Lucas Foppa
All genres
Journal Article (16)
Journal Article
15, pp. 12652 - 12665 (2025)
Modeling Time-On-Stream Catalyst Reactivity in the Selective Hydrogenation of Concentrated Acetylene Streams under Industrial Conditions via Experiments and AI. ACS Catalysis
Journal Article
Coherent collections of rules describing exceptional materials identified with a multi-objective optimization of subgroups. Digital Discovery (2025)
Journal Article
11, 150 (2025)
Materials-discovery workflow guided by symbolic regression for identifying acid-stable oxides for electrocatalysis. npj Computational Materials
Journal Article
15 (4), pp. 2916 - 2926 (2025)
Rules Describing CO2 Activation on Single-Atom Alloys from DFT-Meta-GGA Calculations and Artificial Intelligence. ACS Catalysis
Journal Article
: CO Oxidation Catalyzed by Perovskites: The Role of Crystallographic Distortions Highlighted by Systematic Experiments and Artificial Intelligence. Angewandte Chemie International Edition 64 (6), e202417812 (2025)
Journal Article
14 (23), pp. 6924 - 6933 (2024)
Vibrational frequencies utilized for the assessment of exchange-correlation functionals in the description of metal-adsorbate systems: C2H2 and C2H4 on transition-metal surfaces. Catalysis Science & Technology
Journal Article
: Roadmap on data-centric materials science. Modelling and Simulation in Materials Science and Engineering 32 (6), 063301 (2024)
Journal Article
146 (8), pp. 5433 - 5444 (2024)
Materials Genes of CO2 Hydrogenation on Supported Cobalt Catalysts: An Artificial Intelligence Approach Integrating Theoretical and Experimental Data. Journal of the American Chemical Society
Journal Article
: Data-Centric Heterogeneous Catalysis: Identifying Rules and Materials Genes of Alkane Selective Oxidation. Journal of the American Chemical Society 145 (6), pp. 3427 - 3442 (2023)
Journal Article
144 (46), pp. 21232 - 21243 (2022)
Effects of Silica Modification (Mg, Al, Ca, Ti, and Zr) on Supported Cobalt Catalysts for H2-Dependent CO2 Reduction to Metabolic Intermediates. Journal of the American Chemical Society
Journal Article
129 (5), 0545301 (2022)
Hierarchical Symbolic Regression for Identifying Key Physical Parameters Correlated with Bulk Properties of Perovskites. Physical Review Letters
Journal Article
12 (4), pp. 2233 - 2232 (2022)
Learning Design Rules for Selective Oxidation Catalysts from High-Throughput Experimentation and Artificial Intelligence. ACS Catalysis
Journal Article
65 (1-4), pp. 196 - 206 (2022)
Identifying Outstanding Transition‑Metal‑Alloy Heterogeneous Catalysts for the Oxygen Reduction and Evolution Reactions via Subgroup Discovery. Topics in Catalysis
Journal Article
65 (1-4), p. 207 - 207 (2022)
Correction to: Identifying Outstanding Transition-Metal-Alloy Heterogeneous Catalysts for the Oxygen Reduction and Evolution Reactions via Subgroup Discovery. Topics in Catalysis
Journal Article
: Materials genes of heterogeneous catalysis from clean experiments and artificial intelligence. MRS Bulletin 46 (11), pp. 1016 - 1026 (2021)
Journal Article
: Towards Experimental Handbooks in Catalysis. Topics in Catalysis 63 (19-20), pp. 1683 - 1699 (2020)
Talk (38)
Talk
AI-Guided Workflows for Materials Design. Materials Informatic Workshop, CNPEM/ILUM-Max Planck meeting on electronic Structure methods and materials informatics, Campinas, Brazil (2025)
Talk
Modelling Materials’ Properties via the "Materials Genes". CECAM Workshop, School on Machine Learning for Molecules and Materials Research, Zadar, Croatia (2025)
Talk
Describing Materials Properties and Functions via the "Materials Genes" Concept. Seminar, Institute of Physics, University of Sao Paulo, Sao Paulo, Brazil (2025)
Talk
AI-Guided Workflows for the Discovery of Novel Materials. APS March Meeting 2025, Anaheim, USA (2025)