Catalyst development for polymerization and CO2 capture, storage and upcycling to high value materialsJames Hedrick2023ACS Fall 2023
Seeing the unseen: leveraging vision models to extract digital fingerprints of complex liquidsGianmarco GabrieliMatteo Manicaet al.2023ACS Fall 2023
PatCID: Large-scale chemical-structure database from images in patent documentsIngmar MeijerValery Weberet al.2023ACS Fall 2023
Potential pitfalls in the use of quantum computing hardware-efficient Ansatze in electronic structure theoryRuhee D'cunhaMario Mottaet al.2023ACS Fall 2023
Geometry evolution of porous media due to coupled reactive-transport processes within capillary networksDavid Alejandro Lazo VasquezJaione Tirapu Azpirozet al.2023ACS Fall 2023
Quantum Embedding Method for the Simulation of Strongly Correlated Systems on Quantum ComputersMax RossmannekFabijan Pavoševićet al.2023ACS Fall 2023
Characterization of small molecule latent spaces derived from a variety of generative molecule creation approachesWendy Cornell2023ACS Fall 2023
Quantum chemistry simulation of ground- and excited-state properties of the sulfonium cation on a superconducting quantum processorMario MottaGavin Joneset al.2023ACS Fall 2023
Understanding the role of mass transport and lithium interphase design in enabling conversion batteriesMurtaza ZohairMaxwell Giammonaet al.2023ACS Fall 2023