Development of Ensemble Models for the Growth of Colloidal Spin-on-Glass MaterialsTim ErdmannSarath Swaminathanet al.2022ACS Fall 2022
A system for understanding molecular formula patterns for non-stoichiometric, variable inorganic compoundsTom GriffinKristin Schmidt2022ACS Fall 2022
Organocatalytic depolymerization and upcycling of waste plastic as a facile route to materials discoveryJames Hedrick2022ACS 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
Quantum computing study of industrially relevant problems: Reactions on surfacesTanvi GujaratiMario Mottaet al.2022ACS Fall 2022
Regression transformer: Concurrent property prediction and conditional molecular generationJannis BornMatteo Manica2022ACS Fall 2022
Rapid thermal swing adsorption gas separation for low-cost carbon captureBruno MichelEmanuele Piccoliet al.2022ACS Fall 2022
Quantum simulations of spin chemistry on IBM Q quantum comuterMariya VyushkovaMeltem Tolunayet al.2022ACS Fall 2022
Studying the physics of carbon dioxide storage at microscopic scale with simulations and experimentsMatheus Esteves FerreiraJaione Tirapu Azpirozet al.2022ACS Fall 2022