Computing bandgaps of periodic materials with a quantum processor via tight-biding projection and subspace quantum diagonalization
- Alan Duriez
- Pamela Costa Carvalho
- et al.
- 2025
- APS Global Physics Summit 2025
Publications
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24 results for Federico Zipoli
Extended Hubbard modelling of metal-organic-frameworks
- Pamela Costa Carvalho
- Federico Zipoli
- et al.
- 2025
- APS Global Physics Summit 2025
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
Combining Bayesian optimization and automation to simultaneously optimize reaction conditions and routes
- Oliver Schilter
- Daniel Pacheco Gutierrez
- et al.
- 2024
- Chemical Science
Learning the Language of NMR: Structure Elucidation from NMR spectra using Transformer Models
- 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
Using Foundation Models to Promote Digitization and Reproducibility in Scientific Experimentation
- Amol Thakkar
- Andrea Giovannini
- et al.
- 2023
- NeurIPS 2023
Enzeptional: enzyme optimization via a generative language modeling-based evolutionary algorithm
- 2023
- MRS Fall Meeting 2023