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physics.chem-ph2024★ 15 cited
Room-temperature decomposition of the ethaline deep eutectic solvent
Julia H. Yang, Amanda Whai Shin Ooi, Zachary A. H. Goodwin +5
Environmentally-benign, non-toxic electrolytes with combinatorial design spaces are excellent candidates for green solvents, green leaching agents, and carbon capture sources. Here…
physics.chem-ph2023★ 20 cited
Nonlocal Machine-Learned Exchange Functional for Molecules and Solids
Kyle Bystrom, Boris Kozinsky
The design of better exchange-correlation functionals for Density Functional Theory (DFT) is a central challenge of modern electronic structure theory. However, current development…