
Wave enthusiast, Associate Professor @UNCCharlotte, he/his/him, views are my own.
Joined April 2016
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Come be my colleague! The Chemistry Department @ChemistryUNCC is searching for an Assistant Professor (tenure-track) with a program in materials synthesis and a Lecturer or Teaching Professor (non-tenure-track, but long-term with a promotion track )
Links below! 👇
Lecturer (requires MS) or Teaching Professor (requires PhD):
chemistryjobs.acs.org/jobs/?…
In honor of one of my heroes, Brian Wilson, we submitted a cover graphic to @JCIM_JCTC inspired by his masterpiece "Surf's Up" that also captures some of our work. So excited to see #MyACSCover out now!
A “Quicksilver moon” illuminates this quantum landscape above a beach scene complete with palm trees and surfboard, while the titular record spins below. Like Wilson’s innovative harmonies, QED-CASSCF reveals new resonances between light and matter in cavity-altered chemistry.
We also snuck a "Good Vibrations" nod into our TOC graphic pubs.acs.org/doi/10.1021/acs…
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Are you receiving RCSA's news updates? Subscribe for news about recent awards, upcoming initiatives, conferences, and other events! conta.cc/4mhtK8E
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NC Photochem is back this year! Come join us November 8th in Raleigh for a series of great talks and posters
Jay Foley retweeted
I have a postdoc opening in my group on time-dependent DFT, quantum dynamics, and electron scattering. For more details on the project, see: tinyurl.com/yc3kae89
Any help to spread the opportunity by re-posting is appreciated↩️
#CompChem #CompChemJobs #chempostdoc #DFT #TDDFT
Jay Foley retweeted
🤗The future of #compchem is in great hands! 💥Jessica Nash, Ashley McDonald, Jay Foley, Yara Yingling, & Eugene DePrince are teaching and inspiring the next generation of computational chemists @unccharlotte @jessica_a_nash @ARingerMcDonald @Foley_lab @YaraYingling @DePrinceFSU
Jay Foley retweeted
📣 Looking for a creative postdoc with strong computational skills!
Be our go-to person for building simple but powerful simulations that test wild ideas on biological rhythms: from daily cycles of mussel groups at deep sea, to firefly flash synchronization! More info👇

ALT Recruitment poster for a postdoc position in the Peleg Lab at CU Boulder. Text highlights a search for a creative researcher to model biological rhythms in systems like mussels and fireflies. Includes job link, deadline (July 18, 2025), QR code, and BioFrontiers Institute logo, with a glowing firefly forest background. https://jobs.colorado.edu/jobs/JobDetail/?jobId=65635
Jay Foley retweeted
We're looking to hire a postdoc to work on molecular spin dynamics and photophysics/photochemistry. Experience with quantum chemistry of excited states and nonadiabatic dynamics is desirable. More info here: yuenzhougroup.ucsd.edu/conta…. Please share this information.
One week left to apply to our free in-person #compchem workshop with @MolSSI_NSF hosted @unccharlotte from 7/14 - 7/18/25! Apply through this form if interested! forms.gle/4YmSmuJnnsU7pMdV7
There is not enough talk about the best use of LLMs for references though, which is you paste in unformatted reference data and say "make my bibtex entry" - comes out perfect every time! 🔥
I genuinely don't understand why some people are still bullish about LLMs.
I use GPT, Grok, Gemini, Mistral etc every day in the hope they'll save me time searching for information and summarizing it. They continue to fabricate links, references, and quotes, like they did from day one.
I ask them to give me a source for an alleged quote, I click on the link, it returns a 404 error. I Google for the alleged quote, it doesn't exist. They reference a scientific publication, I look it up, it doesn't exist.
Happens all the time.
Yes, it has gotten somewhat better in the past 2 years in that with DeepSearch and chains of thought about 50-60% or so of the references exist. By my personal estimate currently GPT 4o DeepResearch is the best one. Grok in particular often doesn't include references even if asked. It can't seem to link even to tweets. It's hugely frustrating.
Yes, I have tried Gemini, and actually it was even worse in that it frequently refuses to even search for a source and instead gives me instructions for how to do it myself. Stopped using it for that reason.
I also use them for quick estimates for orders of magnitude and they get them wrong all the time. One thing they do save me time with is unit conversion and collecting all kinds of constants. You'd think though that this shouldn't take a 100 million++ LLM to get done.
Yesterday I uploaded a paper to GPT to ask it to write a summary and it told me the paper is from 2023, when the header of the PDF clearly says it's from 2025. I don't even know what the heck is going on there, but intelligence ain't it.
I sense that a lot of people now think knowledge graphs will fix the LLM-issue, but no, they will not. They cannot.
Even in the case that knowledge graphs would prevent logical inconsistency 100%, there are a lot of text-constructions that are perfectly logically consistent but have zero relation to reality.
Companies will keep pumping up LLMs until the day a newcomer puts forward a different type of AI model that will swiftly outperform them. On that day, it will become apparent that a lot of companies have been hugely overvalued. It will be a very bad day for the stock market.
Just logging in to say Happy Deafheaven Day to those who celebrate! There really couldn't be a more appropriate title for a record this year tbh
open.spotify.com/album/5Eh3x…
Jay Foley retweeted
🚀 Meet Ruby Manderna, a 2024-25 MolSSI Software Fellow advancing the simulation of polaritronic chemistry. Learn more about her journey of innovation & discovery with Software Fellow Taylor Barnes at our website!🔎😀
molssi.org/exploring-polarit…
@RubyManderna
We are pleased to announce a FREE workshop on #compchem with @MolSSI_NSF
from July 14-18 2025! No programming experience needed! For more information, eligibility, and the application link, visit pages.charlotte.edu/molssi-m…
We will begin reviewing applications on April 1, 2025!
I'm grateful we had such nice interest and attendance at our virtual workshop on molecular qed earlier this month!
Here are the video recordings from day 1 (formalism): youtu.be/h2zXXnOx9Dw?si=TKZu…
and day 2 (implementation): youtu.be/3-CukHLV-hc?si=8lRj…
My group will be hosting a free virtual #compchem tutorial workshop on molecular CQED on 2/3 and 2/4/2025, from2 - 5 pm ET! If you are interested, let us know through this form and we will send you a zoom link and supporting info!
forms.gle/3ApEnbPEbSbWeAyG9














