Federico Zipoli

Publications

• Unraveling Molecular Structure: A Multimodal Spectroscopic Dataset for Chemistry

  • • Marvin Alberts
    • Oliver Schilter
    • et al.
  • 2024
  • NeurIPS 2024

• Combining Bayesian optimization and automation to simultaneously optimize reaction conditions and routes

  • • Oliver Schilter
    • Daniel Pacheco Gutierrez
    • et al.
  • 2024
  • ACS Fall 2024

• Multimodal foundation models for more reproducible scientific experimentation and data capture

  • • Patrick Ruch
    • Gianmarco Gabrieli
    • et al.
  • 2024
  • Future Labs Live 2024

• Growing strings in a chemical reaction space for searching retrosynthesis pathways

  • • Federico Zipoli
    • Carlo Baldassari
    • et al.
  • 2024
  • npj Computational Materials

• Combining Bayesian optimization and automation to simultaneously optimize reaction conditions and routes

  • • Oliver Schilter
    • Daniel Pacheco Gutierrez
    • et al.
  • 2024
  • Chemical Science

• Using Foundation Models to Promote Digitization and Reproducibility in Scientific Experimentation

  • • Amol Thakkar
    • Andrea Giovannini
    • et al.
  • 2023
  • NeurIPS 2023

• Learning the Language of NMR: Structure Elucidation from NMR spectra using Transformer Models

  • • Marvin Alberts
    • Federico Zipoli
    • et al.
  • 2023
  • NeurIPS 2023

• Unveiling the Secrets of ¹H-NMR Spectroscopy: A Novel Approach Utilizing Attention Mechanisms

  • • Oliver Schilter
    • Marvin Alberts
    • et al.
  • 2023
  • NeurIPS 2023

• Enzeptional: enzyme optimization via a generative language modeling-based evolutionary algorithm

  • • Yves Gaetan Nana Teukam
    • Federico Zipoli
    • et al.
  • 2023
  • MRS Fall Meeting 2023

• Automatic structure elucidation from NMR spectra

  • • Marvin Alberts
    • Federico Zipoli
    • et al.
  • 2023
  • ACS Fall 2023