Quantum chemistry simulation of ground- and excited-state properties of the sulfonium cation on a superconducting quantum processor
- Mario Motta
- Gavin Jones
- et al.
- 2023
- APS March Meeting 2023
Publications
Date
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449 results for Accelerated Discovery
Inferring missing molecules in incomplete chemical equations
- Alain Vaucher
- Philippe Schwaller
- et al.
- 2021
- ACS Fall 2021
Low-data regime yield predictions with uncertainty estimation using deep learning approaches
- Philippe Schwaller
- Alain Vaucher
- et al.
- 2021
- ACS Fall 2021
POCSTagger: Identifying part-of-chemical-speech with transformers
- Alessandra Toniato
- Philippe Schwaller
- et al.
- 2021
- ACS Fall 2021
Learning from literature-extracted synthesis actions for organic synthesis
- Alain Vaucher
- Philippe Schwaller
- et al.
- 2021
- ACS Spring 2021
Chemistry puppeteer: Enhancing the diversity of retrosynthetic predictions
- Alessandra Toniato
- Philippe Schwaller
- et al.
- 2020
- ACS Fall 2020
Reaction Transformers for Fingerprints, Classification and Atom-Mapping
- Philippe Schwaller
- Daniel Probst
- et al.
- 2020
- ACS Fall 2020
A Geospatial Foundation Model with applications to UK and Ireland
- Helen Tamura-Wicks
- Geoffrey Dawson
- et al.
- 2024
- AGU 2024
Quantifying Uncertainties for Extreme Weather Events with Prithvi WxC Foundation Model
- Eloisa Bentivegna
- Johannes Schmude
- et al.
- 2024
- AGU 2024
Predicting NDVI from SAR images toward Above Ground Biomass Estimation
- Daiki Kimura
- Tatsuya Ishikawa
- et al.
- 2024
- AGU 2024