journals.aps.org/prl/abstract/1… Our state-specific DFT paper is finally out in PRL! We found an easy model for density-driven correlations so can develop comprehensive models for excited states. 1/n

Check the first post of a new tutorial series on working with DensToolKit (DTK) for analyzing electron density through various scalar fields. In this post, installation and NCI plotting. Stay tuned! joaquinbarroso.com/2025/06/17/den… #CompChem #DTK #DensToolKit

We put chemical space (in GMTKN55) on a hardcore diet to produce Slim sets, that summarise the original data using small molecules only. Designed for people working on cutting-edge new approaches with inefficient code. 1/n pubs.acs.org/doi/10.1021/ac…

We have two openings in quantum algorithms with a strong interest in chemical problems. These come with strong startup support. Please share widely. 1/n jobs.smartrecruiters.com/GriffithUniver…

Join us for the 21st International Conference on Density Functional Theory and its Applications! #DFT2026 📍 Donostia / San Sebastián, Spain 📅 23–27 August 2026 🔔Stay tuned — registration opens on 11 September 2025 🌐 More info: dft2026.com

Alexander Sokolov wins the Dirac medal.

Excited to announce that #WATOC2028 will take place in Mérida, Yucatán, Mexico 🇲🇽, from January 9 to 14, 2028! #TheoreticalChemistry #ComputationalChemistry #WATOC If you are interested, please fill the next form: forms.gle/PapjgzkMWKXeVN…

Thrilled to start my independent career as an Asst. Prof. Columbia Chemistry & an ARS Flatiron Institute. We'll develop new methods for modeling excited states, with an eye on practical photocatalysis. Other areas of quantum #compchem are also of interest, stay tuned for more!

[2507.02160] Fully Analytic Nuclear Gradients for the Bethe--Salpeter Equation #compchem arxiv.org/abs/2507.02160

First paper by Loris Burth showing how to use GW with CAP in collaboration with Fábris Kossoski. Found out that qsGW is basically as accurate as EA-EOM-CCSD for shape resonances for a lower computational cost Laboratoire de Chimie et Physique Quantiques PTEROSOR #compchem

**US-CAN Doctoral Excellence Award Western University -$160,000 to 25 PhD students for up to 4 years. - Must've had offer rescinded/cancelled from US school. -Expedited admission process. -Feel free to reach out, if interested in a PhD in inorganic chem! forbes.com/sites/michaelt…

Interested in condensed matter? There is a new paper describing the most recent capabilities included in Abinit. Thrilled to have contributed to it 😎! arxiv.org/abs/2507.08578

The 21st International Conference on Density Functional Theory and its Applications will take place in Donostia (Spain) from Aug 23–27, 2026. Save the dates! 🔬✨ dft2026.com #DFT2026 Check out the lineup of speakers:

📢 Our paper is now published in The Journal of Chemical Physics ! We present spin-adapted cumulants of reduced density matrices, preserving spin symmetry up to 3-RDMs. With Julia Liebert & David Mazziotti 🔗pubs.aip.org/aip/jcp/articl… #QuantumChemistry #SpinSymmetry

📣 UC Merced is hiring! We’re seeking a visionary leader to serve as Dean of the School of Natural Sciences—an exciting opportunity to lead a vibrant academic community on an impact-driven campus. UC Merced Nat Sci 🔗 aprecruit.ucmerced.edu/JPF02013

New PostDoc opportunity in #CompChem at UCL Chemistry Join our exciting research to develop novel wavefunction theory for open-shell ground and excited states in molecules. Please share widely! jobs.ac.uk/job/DOE518/res…

Our latest paper on simulating core-ionized states and X-ray photoelectron spectra of solids is out in J Phys Chem A: pubs.acs.org/doi/10.1021/ac…

The FAIR Chemistry team at Meta is hiring an RS. We're looking for experience in generative modeling, sampling, or representation learning. Also a real interest in tackling practical computational chemistry challenges! Apply metacareers.com/jobs/134955460… Questions [email protected]

AI companies are literally being kept afloat by cheating students

QUEST Database of Highly-Accurate Excitation Energies | Journal of Chemical Theory and Computation pubs.acs.org/doi/10.1021/ac… #compchem