Improvements in accuracy of quantum algorithms without increasing the footprint on the quantum computer
- Julia Rice
- Mario Motta
- et al.
- 2022
- ACS Fall 2022
Conference paper
Publications
Combining high-quality, humanly curated data with language models: the dawn of on-demand machine learning models for digital chemistry
- Alain Vaucher
- Fiona Shortt de Hernandez
- et al.
- 2022
- ACS Fall 2022
Conference paperOxidizing gas enhancement of lithium-iodine batteries: Towards practical iodine cathodes and viable lithium metal protection strategies
- Maxwell Giammona
- Linda Sundberg
- et al.
- 2022
- ACS Fall 2022
Conference paperNeuro-symbolic reinforcement learning for polymer discovery
- 2022
- ACS Fall 2022
Conference paperCarbon dioxide sourced functional cyclic carbonates used to prepare macromolecular therapeutics to treat infectious disease and cancer
- James Hedrick
- 2022
- ACS Fall 2022
Conference paperDeep learning assisted Suzuki cross coupling catalyst design
- Oliver Schilter
- Federico Zipoli
- et al.
- 2022
- ACS Fall 2022
Conference paperAccelerating Material Design with the Generative Toolkit for Scientific Discovery (GT4SD)
- Matteo Manica
- Joris Cadow
- et al.
- 2022
- ACS Fall 2022
Conference paperCombining physics-based modeling and graph neural networks for drug discovery
- 2022
- ACS Fall 2022
Conference paperStudying the physics of carbon dioxide storage at microscopic scale with simulations and experiments
- Matheus Esteves Ferreira
- Jaione Tirapu Azpiroz
- et al.
- 2022
- ACS Fall 2022
Conference paperQuantum simulations of spin chemistry on IBM Q quantum comuter
- Mariya Vyushkova
- Meltem Tolunay
- et al.
- 2022
- ACS Fall 2022
Conference paper