When a Machine Learning model trains on just DFT energies, does it pick up there is an underlying quantity that governs the data: the electron density? We set out to investigate that question, and looked at electron populations in very much the same way we looked at embedding representations (1/5)

Congrats to Harri, job well done 🎉🥳

Excited to see this long-running #CompChem collaboration with @cortogantese.bsky.social now in print! Led by the excellent Amir Ayati, we develop a new computational method to capture strong electron correlation. @uclchemistry.bsky.social @chemistryunb.bsky.social doi.org/10.1063/5.02...

🎉Congrats to Emily Doucet from the Pöhls group for winning the C-Therm Award for Excellence in Solid-State Chemistry at #CSC2025 www.linkedin.com/posts/c-ther...

Congrats to Harri Jones on his fantastic talk at #CSC2025

Mason had awesome engagement at the final talk slot of #CSC2025. Making hydrogen gas and Aluminum MOFs from Al waste.

Strong delegation from @chemistryunb.bsky.social QuNB group at @ciccheminst.bsky.social #csc2025 meeting in Ottawa! Contributions from 1. Ehsan Ghasempouri discussing Max-Cut inspired quantum circuit decomposition for spin glasses on Mon (arxiv.org/abs/2504.12096) [bottom center] (1/4)

reference character is concentrated. The rest is dynamical correlation. NOCI+PT2 becomes the work horse. Ideas that have been floating between @hughburton.com and the QuNB group for a few years, it’s been an honour to work with these bright scientists (2/2) @chemistryunb.bsky.social

Very happy to have this one out! Two takeaways or tl:dr’s: 1. Spin projection is known to be “too expensive” as an N-body operation, but not if you focus on the relevant (valence) space where static correlation strikes. 2. This basically helps you identifying the active space where the multi (1/2)

The Canadian Journal of Chemistry Best Paper Award recognizes the “best paper” published in the volume year of the Canadian Journal of Chemistry (CJC). Congrats to Amer El-Samman & @cortogantese.bsky.social of the University of New Brunswick on being the recipients of this award. buff.ly/5RkYtx1

Very proud of the team effort that went into this! UG’s Stef De Castro (pKA) and Brooke Morton (13C- NMR), wonderfully mentored by recently minted PhD Amer El-Samman (logS)! It was the smoking gun for us that embeddings from GCNNs could learn actual chemistry #ProudPI

Right “in resonance” with #WorldQuantumDay2025, #UNBResearch posted a research profile of the QuNB lab blogs.unb.ca/research/202...

Check out the #ResearchNB spotlight on the Blight lab @barryblight.bsky.social!

UVic Chemistry is hiring. We're looking for an Assistant Professor in experimental chemistry, particularly in one of the areas of physical and/or inorganic chemistry. More details in the ad below. Great department & part of the world to live! #facultychemjobs www.uvic.ca/faculty-staf...

Final fotoshoot for year-end highlight #2: Chem4000 honours presentations. Congrats to all researchers for your awesome research over the year and presentations today. Proud & sad to see some of you fly out, happy to see some of you return after summer in different roles!! #chemsky 🧪🧑‍🔬👩‍🔬👨‍🔬🥼⚗️💻

Year-End highlight #1: Chem30x9 undergraduate research experience presentations by our bright and industrious cohort! #ProudPIs #chemsky 🧪

Dr Ghislain Deslongchamps (left) introducing former Chem4000 Honours student Alain Dechênes, now Vice-President of the Montréal-based Chemical Computing Group (of MOE notoriety), reminding us (right) about the importance of computing in (bio)chemistry during Department Seminar (for a packed room).

Visit + department seminar today by Dr. Christopher Boddy @uottawa.bsky.social walking us through an impressive and comprehensive research portfolio in #naturalproduct characterization, total synthesis, stereochemistry, macrocyclization and much more!

It’s March break, but chemistry keeps coming to UNB! Huck Grover from @memorialu.bsky.social walking us through a Diazo cascade during their Atlantic Seminar series. #chemsky #totalsynthesis

University of Victoria: Physical and/or Inorganic Chemistry https://chempostingscanada.blogspot.com/2025/02/university-of-victoria-physical-andor.html

Dr. Ghislain Deslongchamps (left) introducing UNB’s Wiesner-Valenta 2025 speaker Dr. Dennis Hall (UofAlberta) for their seminar on the synthesis and applications of Boron Heterocycles. Impressive portfolio of work, from drug discovery to catalysis!

@ChemistryUNB is now on @bsky.app Follow us to learn more about @barryblight.bsky.social @cortogantese.bsky.social @eislergroup.bsky.social and many more! #chemsky