Deep learning assisted Suzuki cross coupling catalyst designOliver SchilterFederico Zipoliet al.2022ACS Fall 2022
Accelerating Material Design with the Generative Toolkit for Scientific Discovery (GT4SD)Matteo ManicaJoris Cadowet al.2022ACS Fall 2022
Combining physics-based modeling and graph neural networks for drug discoveryJoseph Morrone2022ACS Fall 2022
Studying the physics of carbon dioxide storage at microscopic scale with simulations and experimentsMatheus Esteves FerreiraJaione Tirapu Azpirozet al.2022ACS Fall 2022
Rapid thermal swing adsorption gas separation for low-cost carbon captureBruno MichelEmanuele Piccoliet al.2022ACS Fall 2022
Regression transformer: Concurrent property prediction and conditional molecular generationJannis BornMatteo Manica2022ACS Fall 2022
Quantum simulations of spin chemistry on IBM Q quantum comuterMariya VyushkovaMeltem Tolunayet al.2022ACS Fall 2022
Quantum computing study of industrially relevant problems: Reactions on surfacesTanvi GujaratiMario Mottaet al.2022ACS Fall 2022
Continuous flow polymerization as a platform to accelerate materials discoveryNathaniel Park2022ACS Fall 2022
Organocatalytic depolymerization and upcycling of waste plastic as a facile route to materials discoveryJames Hedrick2022ACS Fall 2022