Charge Transfer Landscape Manifesting Structure-Rate {Relationship|Partnership|Connection} {in the|within the|inside the} Condensed Phase {via|by way of|through|by means of} Machine {Learning|Studying|Understanding|Finding out|Mastering}

{In this|Within this} {work|function|perform|operate}, we {develop|create} a machine {learning|studying|understanding|finding out|mastering} (ML) {strategy|technique|method|approach|tactic} to map molecular structure to condensed-phase charge transfer (CT) properties {including|such as|which includes|like} CT {rate|price} constants, {energy|power} levels,…

Accelerated Discovery of CH4 Uptake Capacity MOFs {using|utilizing|making use of|employing|working with|applying} Bayesian Optimization

High-throughput computational {studies|research} for discovery of metal-organic frameworks (MOFs) for separations and storage applications are {often|frequently|usually|typically|generally|normally} {limited|restricted} by the {costs|expenses|fees|charges} of computing thermodynamic quantities, with {recent|current} {studies|research} reliant ab initio…