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
https://t.co/moGwflt8e8
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. https://t.co/4h7PkVKTzn
Our work on selected non-orthogonal configuration interaction (SNOCI) is officially in the Journal of Chemical Theory and Computation @JCIM_JCTC, @ACSPublications.
https://t.co/AnXoT6InXr
Many thanks to my collaborators Fei Gao and Prof. Gustavo Scuseria @ScuseriaGroup
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 https://t.co/ftBelmBJD1
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. https://t.co/SbOqV9Dlpi
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
https://t.co/u2HzsvEUzz
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
https://t.co/wRNOqiREHz
[2304.13780] Robust formulation of Wick's theorem for computing matrix elements between Hartree-Fock-Bogoliubov wavefunctions #compchem https://t.co/bnFrJ1mLKm
A new paper @JPhysChem from our group on thermofield theory by @gaurav_harsha, Thomas Henderson, and Gustavo Scuseria (arXiv: 2303.12318).
https://t.co/l0ojyXD7dU
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
https://t.co/K1G75mijAJ
A new paper @JChemPhys from our group on Jordan-Wigner Transformation by Thomas Henderson, Guo Chen, and Gustavo Scuseria (arXiv: 2209.04563).
https://t.co/P8ofJMKOVw
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).
https://t.co/fyhngOJGhl
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