Studying 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 paper
Publications
26877 results for Science
Continuous flow polymerization as a platform to accelerate materials discovery
- 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 paperDeep learning assisted Suzuki cross coupling catalyst design
- Oliver Schilter
- Federico Zipoli
- et al.
- 2022
- ACS Fall 2022
Conference paperImprovements in accuracy of quantum algorithms without increasing the footprint on the quantum computer
- Julia Rice
- Mario Motta
- et al.
- 2022
- ACS Fall 2022
Conference paperBridging the gap between rule-based expert systems and machine learning in computer-aided retrosynthetic design
- Daniel Probst
- Anastasia Sveshnikova
- et al.
- 2022
- ACS Fall 2022
Conference paperCombining physics-based modeling and graph neural networks for drug discovery
- 2022
- ACS Fall 2022
Conference paperEffect of Partial Charges on the Data-Driven Analytics of CO2 Adsorption Metrics
- Breanndan O'Conchuir
- Binquan Luan
- et al.
- 2022
- ACS Fall 2022
Short paperMolecular Descriptors Accounting for Intramolecular Interactions and Application to Chemical Property Prediction
- Lisa Hamada
- Seiji Takeda
- et al.
- 2022
- ACS Fall 2022
Short paperPredicting HLA-peptide complex immunogenicity with molecular dynamics and graph convolutional deep learning
- 2022
- ACS Fall 2022
Invited talk