Balancing computational chemistry's potential with its environmental impact
Oliver Schilter, Philippe Schwaller, Teodoro Laino
Abstract
Digital chemistry methods accelerated discoveries of sustainable processes but require assessing and minimizing their carbon footprint caused by the required computing power.
Topics & Concepts
Carbon footprintChemistryBiochemical engineeringComputer scienceGreen chemistryEnvironmental chemistryNanotechnologyOrganic chemistryGreenhouse gasEcologyCatalysisEngineeringMaterials scienceReaction mechanismBiologyMachine Learning in Materials ScienceGreen IT and SustainabilityChemistry and Chemical Engineering