Chemical space analysis and property prediction for carbon capture amine moleculesJames McDonaghStamatia Zavitsanouet al.2022ChemRxiv
PGT: a prompt based generative transformer for the patent domainDimitrios ChristofidellisAntonio Berrios Torreset al.2022ICML 2022
Neuro-Symbolic Reinforcement Learning for Polymer DiscoverySarath SwaminathanDmitry Zubarevet al.2022MRS Spring Meeting 2022
Accelerated Materials Discovery for Sustainable Energy StorageDmitry ZubarevMaxwell Giammonaet al.2022MRS Spring Meeting 2022
Development of polymer information systems to support accelerated materials development via AI-enabled automated experimentationNathaniel ParkMatteo Manicaet al.2022ACS Spring 2022
Development and use of a software platform applied towards the automated synthesis of carbonate monomers and machine learning applicationsPedro ArrecheaJames Hedricket al.2022ACS Spring 2022
Sample-efficient Generation of Novel Photo-acid Generator Molecules using a Deep Generative ModelSamuel HoffmanVijil Vijilet al.2021NeurIPS 2021
Accelerated Discovery of Novel Solvents for CO2 CaptureBenjamin WunschStacey Giffordet al.2021MRS Fall Meeting 2021
AI assisted design and synthesis of materials with targeted propertiesVictoria PiunovaDmitry Zubarevet al.2021ACS Fall 2021
Computational and experimental design of solvents for CO2 capture Flaviu CipciganJames McDonaghet al.2021ACS Fall 2021