Scuseria Research Group

Discussion in full swing at #FarEc2024 @Faraday_D

Final version: strongly correlated electrons as weakly correlated pairs of electrons. - coupling between states is cheap - perturbation theory the same as CI, but much much cheaper - non-zero seniorities (the rest of the space) to come very soon pubs.acs.org/doi/full/10.10…

Dr. Chong Sun @ChongSun20 won the ACTC 2024 @uncchemistry Chair's Poster Award. Congratulations, Dr. Sun!

Dr. Guo Chen @GuoChenChem and Dr. Chong Sun @ChongSun20 will present their posters at ACTC 2024 @UNC. Swing by and learn about our latest research! Guo: Monday 6/17, 5:30-7:30 pm, Alumni Room, M19 Chong: Tuesday 6/18, 5:30-7:30 pm, Old Well Room, T26 #theochem #compchem

Pioneering Rice University chemist Gustavo Scuseria has won the 2024 Schrödinger Medal from the World Association of Theoretical and Computational Chemists. The annual award recognizes an outstanding body of work in theoretical and computational chemistry. bit.ly/3Kl00qO

Our work on selected non-orthogonal configuration interaction (SNOCI) is officially in the Journal of Chemical Theory and Computation @JCIM_JCTC, @ACSPublications. pubs.acs.org/doi/10.1021/ac… Many thanks to my collaborators Fei Gao and Prof. Gustavo Scuseria @ScuseriaGroup

Preprint: weakly correlated seniority-zero states

Overcoming long-standing numerical challenges, a new formulation of Wick's theorem enables accurate and efficient computation of matrix elements between arbitrary Hartree-Fock-Bogoliubov states. @ScuseriaGroup @GuoChenChem aippub.org/3RWcoTj

Rice’s Gustavo Scuseria, whose pioneering quantum computational methods are widely used to study molecular and solid-state materials, has won the 2024 Aneesur Rahman Prize for Computational Physics. bit.ly/49eo4qE

@JChemPhys Amazing work by @GuoChenChem, who has recently joined the Twitter #compchem #theochem community!

A new paper @JChemPhys from our group on Wick's theorem by Dr. Guo Chen and Prof. Gustavo Scuseria (arXiv: 2303.12318) has been selected as JCP Editor's Pick! #compchem #theochem doi.org/10.1063/5.0156…

New effort on efficient quantum state preparation algorithms for quantum chemistry by @ScuseriaGroup. This work boosts the future development of quantum algorithms based on weakly correlated electron-pair states, useful for strong correlation. #compchem go.acs.org/5bi

[2304.13780] Robust formulation of Wick's theorem for computing matrix elements between Hartree-Fock-Bogoliubov wavefunctions #compchem arxiv.org/abs/2304.13780

[2304.12822] Symmetry-projected cluster mean-field theory applied to spin systems #compchem arxiv.org/abs/2304.12822

A new paper @JPhysChem from our group on thermofield theory by @gaurav_harsha, Thomas Henderson, and Gustavo Scuseria (arXiv: 2303.12318). doi.org/10.1021/acs.jp…

A new preprint from our group on the state preparation of AGP on a quantum computer by Armin Khamoshi, Rishab Dutta, and Gustavo Scuseria. #theochem #compchem #quantum arxiv.org/abs/2301.09586

A new paper @JChemPhys from our group on Jordan-Wigner Transformation by Thomas Henderson, Guo Chen, and Gustavo Scuseria (arXiv: 2209.04563). doi.org/10.1063/5.0125…

A new @IOPPublishing paper from our group and @ELabEmory on AGP-based unitary coupled cluster theory for quantum computers by Armin Khamoshi, Guo Chen, Francesco Evangelista, and Gustavo Scuseria (arXiv: 2205.13420). doi.org/10.1088/2058-9…

You can also find Rishab at the SciMix poster session (poster number: 3446) on August 22, 8 - 10 pm, in Hall F2.

There will be three talks at #ACSChicago next week from our group! Dr. Guo P. Chen: August 21, 5 pm, S405A. Prof. Gustavo E. Scuseria: August 22, 2 pm, S404BC. Rishab Dutta: August 22, 5.45 pm, S404BC. #theochem #compchem