Teodoro Laino

IBM Research - Zurich — Switzerland

Materials Science · Physical Sciences

39h-index10.5kcitations209works7.02yr avg
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Research Topics

Machine Learning in Materials Science(89), Computational Drug Discovery Methods(59), Advanced Text Analysis Techniques(27), Topic Modeling(20), Machine Learning in Bioinformatics(17)

Publications209 total

Roadmap for transforming heterogeneous catalysis with artificial intelligence
Nature Catalysis·2026· 1 cited
Automated LLM based Extraction of Standardized Synthesis Procedures: an All-Domain, Zero-Shot Approach
2025Open Access
Roadmap for Transforming Heterogeneous Catalysis with Artificial Intelligence
2025· 5 citedOpen Access
IR-NMR multimodal computational spectra dataset for 177K patent-extracted organic molecules
Scientific Data·2025· 1 citedOpen Access
From Spectra to Structure: AI-Powered <sup>31</sup>P NMR Interpretation
Universität Zürich, ZORA·2025Open Access
From Spectra to Structure: AI-Powered <sup>31</sup> P NMR Interpretation
Analytical Chemistry·2025Open Access
Language Model Enabled Structure Prediction from Infrared Spectra of Mixtures
2025Open Access
IR–NMR Multimodal Computational Spectra Dataset for 177K Patent-Extracted Organic Molecules
2025
Author response for "Setting New Benchmarks in AI-driven Infrared Structure Elucidation"
2025
Author response for "Setting New Benchmarks in AI-driven Infrared Structure Elucidation"
2025
Negative chemical data boosts language models in reaction outcome prediction
Science Advances·2025· 6 citedOpen Access
Automated Structure Elucidation at Human-Level Accuracy via a Multimodal Multitask Language Model
2025· 3 citedOpen Access
Author response for "Setting New Benchmarks in AI-driven Infrared Structure Elucidation"
2025
Machine Learning Models for Solvent Prediction in Organic Reactions: Bridging the Gap between Theory and Practical Efficacy
2025· 1 citedOpen Access
Setting New Benchmarks in AI-driven Infrared Structure Elucidation
2025· 1 citedOpen Access
From Spectra to Structure: AI-Powered 31P-NMR Interpretation
2025· 1 citedOpen Access
Foundation models for materials discovery – current state and future directions
npj Computational Materials·2025· 41 citedOpen Access
Amino Acid Composition drives Peptide Aggregation: Predicting Aggregation for Improved Synthesis
2025Open Access
Making Sense of Data in the Wild: Data Analysis Automation at Scale
arXiv (Cornell University)·2025Open Access
Setting new benchmarks in AI-driven infrared structure elucidation
Digital Discovery·2025· 2 citedOpen Access
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Frequent Co-authors

Philippe Schwaller(19), Alain C. Vaucher(13), Vishnu H Nair(8), Alessandro Curioni(8), Jean‐Louis Reymond(8), Jürg Hutter(6), Michele Parrinello(5), Matteo Manica(5), Daniel Probst(4), Christopher J. Mundy(3), Costas Bekas(3), David Kreutter(3), Benjamin Hoover(3), Hendrik Strobelt(3), Joppe Geluykens(3), Jannis Born(3), Gregory K. Schenter(2), Théophile Gaudin(2), Anna Iuliano(2), Edward O. Pyzer‐Knapp(2)