TBHubbard: tight-binding and extended Hubbard model dataset for metal-organic frameworks
- Pamela Costa Carvalho
- Federico Zipoli
- et al.
- 2025
- Scientific Data
Paper
Publications
25 results for Federico Zipoli
Setting new benchmarks in AI-driven infrared structure elucidation
- Marvin Alberts
- Federico Zipoli
- et al.
- 2025
- Digital Discovery
PaperIntegrating genetic algorithms and language models for enhanced enzyme design
- Yves Gaetan Nana Teukam
- Federico Zipoli
- et al.
- 2025
- Briefings in Bioinformatics
PaperLearning a reactive potential for silica-water through uncertainty attribution
- Swagata Roy
- Johannes P. Dürholt
- et al.
- 2024
- Nature Communications
PaperCompletion of partial chemical equations
- Federico Zipoli
- Zeineb Ayadi
- et al.
- 2024
- Machine Learning: Science and Tech.
PaperGrowing strings in a chemical reaction space for searching retrosynthesis pathways
- Federico Zipoli
- Carlo Baldassari
- et al.
- 2024
- npj Computational Materials
PaperCombining Bayesian optimization and automation to simultaneously optimize reaction conditions and routes
- Oliver Schilter
- Daniel Pacheco Gutierrez
- et al.
- 2024
- Chemical Science
PaperActivity recognition in scientific experimentation using multimodal visual encoding
- Gianmarco Gabrieli
- Irina Espejo Morales
- et al.
- 2024
- Digital Discovery
PaperFueling the Digital Chemistry Revolution with Language Models
- Antonio Cardinale
- Alessandro Castrogiovanni
- et al.
- 2023
- Chimia
PaperAccelerating material design with the generative toolkit for scientific discovery
- Matteo Manica
- Jannis Born
- et al.
- 2023
- npj Computational Materials
Paper