There is an overwhelming selection of optimal species and processing conditions to fabricate hybrid organic-inorganic perovskite (HOIP) thin films via solution processing. This makes it attractive to use computational methods to narrow our search to those species that produce high quality films. Our new paper, led by Ford Fellow Blaire Sorenson, provides insight into this research problem by showing the two order magnitude speed-up in computation achieved using an implicit solvent model to choose optimal solvents. UG Spencer Hong and Dr. Henry Herbol also provided valuable input that culminated in our publication in Computational Materials Science, titled: “How well do implicit solvation models represent intermolecular binding energies in organic-inorganic solutions?”
The impact of this article has not been overlooked, with the editor of Computational Materials Science selecting our article as an “Editor’s Choice.” To read more, check out our article: https://doi.org/10.1016/j.commatsci.2019.109138.