Federico Zipoli

Pronouns

He/Him/His

Title

Research Scientist

Bio

I am a member of the team responsible for AI for material discovery and atomistic simulations of materials at the IBM Research – Zurich Lab.

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

Patents

- 13 Sep 2021
- US
- 11121409
Electrochemical Energy Storage
- 24 May 2021
- US
- 11016965
Graphical User Interface For Defining Atomic Query For Querying Knowledge Graph Databases
- 23 Apr 2018
- US
- 9953839
Gate-stack Structure With A Diffusion Barrier Material
- 16 Apr 2018
- US
- 9947867
Amorphous Carbon Resistive Memory Element With Lateral Heat Dissipating Structure
- 01 May 2017
- US
- 9640759
Amorphous Carbon Resistive Memory Element With Lateral Heat Dissipating Structure

Projects

Lab that Learns

Leveraging AI foundation models and multi-cloud computing to usher in a new era of reproducible and collaborative experimentation for scientific discovery.

AI for Scientific Discovery

Creating the AI-enabled lab for a new era of reproducible and collaborative experimentation

View more projects

Blog posts

AI for chemistry: IBM and Evonik Industries to boost material design
Case study
Oliver Schilter, Theophile Gaudin, and Federico Zipoli
28 May 2021
8 minute read
- Accelerated Discovery
- Materials Discovery

Top collaborators

Teodoro Laino

Distinguished RSM, Manager

Marvin Alberts

Matteo Manica

Senior Research Scientist

Gianmarco Gabrieli

Pre-Doctoral Researcher