25 citations · 35 across the 5 of their papers we have counts for
5 papers
A Computational Study of Organic Molecular Crystals for Photocatalytic Water Splitting
James D. Green, Daniel G. Medranda, Hong Wang +3
Organic crystalline materials are potential candidates for photocatalytic overall water splitting (OWS). Although organic crystals have been heavily investigated for application in…
Coulombic control of charge transfer in luminescent radicals with long-lived quartet states
Lujo Matasovic, Petri Murto, Shilong Yu +13
Excitons in organic materials are emerging as an attractive platform for tunable quantum technologies. Structures with near-degenerate doublet and triplet excitations in linked tri…
Learning Radical Excited States from Sparse Data
Jingkun Shen, Lucy E. Walker, Kevin Ma +4
Emissive organic radicals are currently of great interest for their potential use in the next generation of highly efficient organic light emitting diode (OLED) devices and as mole…
ExROPPP: Fast, Accurate and Spin-Pure Calculation of the Electronically Excited States of Organic Hydrocarbon Radicals
James D. Green, Timothy J. H. Hele
Recent years have seen an explosion of interest in organic radicals due to their promise for highly efficient organic light-emitting diodes (OLEDs) and molecular qubits. However, a…
Inverse molecular design from first principles: tailoring organic chromophore spectra for optoelectronic applications
James David Green, Eric Gabriel Fuemmeler, Timothy J. H. Hele
The discovery of molecules with tailored optoelectronic properties such as specific frequency and intensity of absorption or emission is a major challenge in creating next-generati…