New #preprint with David Tew Oxford Chemistry showing that strongly correlated states in molecules can be built from a handful of configurations that balance bonding and localisation. Great work led by Daniel Marti-Dafcik and Nicholas Lee Cambridge Chemistry arxiv.org/abs/2402.08858

[2402.13111] Go Green: Selected Configuration Interaction as a More Sustainable Alternative for High Accuracy #compchem arxiv.org/abs/2402.13111

New #preprint out today, exploring the state-specific CASSCF (2,2) solutions in the double bond rotation of ethylene. Great work from Sandra Saade! Oxford Chemistry Cambridge Chemistry arxiv.org/abs/2402.13046

Rationale for the extrapolation procedure in selected configuration interaction pubs.aip.org/aip/jcp/articl… #compchem

Accurate and gate-efficient quantum Ansätze for electronic states without adaptive optimization, Hugh G. A. Burton @hughgaburton @chemcambridge #Quantum #QuantumInformation go.aps.org/3RDQNOF

Excited to see our work on compact quantum ansatze for VQE simulations now in print!! Physical Review Research #CompChem Cambridge Chemistry doi.org/10.1103/PhysRe…

Finally, I'm more than happy to share that the long-standing series of Strasbourg meetings will continue in 3 years' time as Hugh Burton has offered to organise the next meeting in London (or somewhere else in the UK). Looking forward to it!

We have a postdoc position available for developing quantum-inspired electronic structure theory methods. Email me if you're interested! Retweets appreciated :) #compchem

Congratulations George!!

I'm excited to be awarded a The Royal Society University Research Fellowship to develop new theoretical predictions of electronic excitations! I'll be starting a group at UCL Chemistry in Jan 2025, PostDoc and PhD adverts to follow... ucl.ac.uk/chemistry/rese… royalsociety.org/news/2024/10/e…

Come join me on BlueSky! #CompChem bsky.app/profile/hughbu…

New PhD opportunity in #CompChem at UCL Chemistry starting October 2025... If you're interested in developing new theoretical models for excited states, then we look forward to hearing from you. Please share widely... and Merry Christmas! findaphd.com/phds/project/n…

Our first new #CompChem for 2025 is now out! We looked at how the amount of exact (non-local) exchange changes the multiple solutions found in KS-DFT, revealing a fascinating combinatorial arrangement of localised electron spins... pubs.acs.org/doi/10.1021/ac…

Today, in our Journal Club, Guillem presented the article "Excited State-Specific CASSCF Theory for the Torsion of Ethylene" by Sandra Saade and Hugh Burton . Excellent article and a great presentation, followed by an engaging discussion!

Spin coupling is all you need: Encoding strong electron correlation in molecules on quantum computers, Daniel Marti-Dafcik, Hugh G. A. Burton, and David P. Tew #CondensedMatter #Quantum go.aps.org/3QA0v3q

Excited to be at my first #ACSFall2025 meeting! I'll be talking about new wavefunction theory - Unitary Product States - that is compatible with quantum computers and sheds new light on traditional electronic structure methods. Wednesday 20th August at 2pm in Hall E - Room 26!