What a great year for research faculty, staff, and students at the @univofkentucky!

This Call for Papers from ACS Materials Au seeks to highlight the design, manufacturing, functional properties, and mathematical/computational modeling of complex materials. Submit your manuscript by December 31, 2025. Submit your research 👉 https://t.co/qr5wistg6Y

Evaluating Molecular Similarity Measures: Do Similarity Measures Reflect Electronic Structure Properties? https://t.co/Zbsqa57riK @cmrisko @riskolab #JCIM Vol65 Issue9 #MachineLearning #DeepLearning

Several members of the Risko lab are attending and presenting research at the Spring 2025 Materials Research Society (MRS) meeting this week. If you are in Seattle this week, be sure to stop by and check out these fantastic researchers. #S25MRS

Notably, the analysis reveals that one of the most popular similarity measures (mfpReg, Tanimoto) can rank among the worst-performing measures depending on the property being evaluated. https://t.co/yB7MwvSenC

Using a dataset of over 350 million molecule pairs with electronic structure, redox, and optical properties (more than 16 billion data points!), we systematically evaluate the correlation between several molecular fingerprint generators, distance functions, and these properties.

Here, the approach builds on the concept of neighborhood behavior and incorporates KDE analysis to quantify how well similarity measures capture property relationships.

How do you choose your approach to identify molecular similarity? Here, @RebekahDuke14 leads a collaboration to introduce a framework to evaluate the correlation between molecular similarity measures and molecular properties. https://t.co/yB7MwvSenC

Another great paper from @zan_paterson - showing that a combination of deoxygenation and her favourite dopant C60F48, dramatically improves the stability in p-type mixed conductors. A must read!!

https://t.co/qEB0Jq6RAN Improving the stability of organic mixed ionic-electronic conductors @NatureElectron @UKCAER @_iainmcculloch @NirTessler @cmrisko

We had the pleasure visiting our colleagues at the Center for Nanophase Materials Sciences (CNMS) at #ORNL. Lots of mutual interest on nanostructured polymers, organic electronics, AI/ML/simulations, dielectric materials, 2D/quantum materials, and hyphenated characterizations.

If you are already in Boston, or traveling in the next day or two, check out the awesome @riskolab presentations at #F24MRS

There is still a postdoctoral opening related to this project. Applicants with expertise in programming and machine learning interatomic potentials can send me a CV and motivational letter.

Congratulations to @riskolab graduate student Megan Brown on passing her oral qualifying exam today! (I'm a bad advisor, though, and forgot to take the requisite picture.)

Exciting postdoc opportunity for organic/polymer chemists. Come and work on self-assembled nanofibers for photocatalytic hydrogen production with Assistant Professor Catherine Aitchison. https://t.co/USKyI9BCJg #chempostdoc @Chemjobber

One day you’re young and wild; the next, it’s Monday, and you’re dialing into a teams call.

Congratulations to @riskolab graduate student researcher Sahar Bayat on an outstanding oral exam today!

The Simpsons on PhD students - almost twenty years old & more cutting than ever

A big thank you to Kelsey @KelseyHatzell for her fantastic presentation at today's Odom Lecture in honor of our good friend and colleague Susan @ItsSusanOdom

@UKUGR has announced the 10 undergraduate students who have been selected as 5-Minute Fast Track Research Competition finalists. Finalists will present their research in five minutes in front of a panel of judges and a live audience on Oct 21. Learn more: https://t.co/qxYFIi9HvF