2 papers
cond-mat.mtrl-sci2026
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…
cs.LG2025
The Catechol Benchmark: Time-series Solvent Selection Data for Few-shot Machine Learning
Toby Boyne, Juan S. Campos, Becky D. Langdon +11
Machine learning has promised to change the landscape of laboratory chemistry, with impressive results in molecular property prediction and reaction retro-synthesis. However, chemi…