Research Areas

Quantum chemistry on quantum computers

We explore a variety of ways one can use a quantum computer to accelerate quantum chemistry calculations. For more details see the following recent works:

  • Maximilian Scheurer, Gian-Luca R. Anselmetti, Oumarou Oumarou, Christian Gogolin, Nicholas C. Rubin Tailored and Externally Corrected Coupled Cluster with Quantum Inputs, arXiv:2312.08110

  • Google Quantum AI, Purification-based quantum error mitigation of pair-correlated electron simulations. Nature Physics volume 19, pages1787–1792 (2023) link

  • Nicholas C. Rubin, Joonho Lee, Ryan Babbush Compressing Many-Body Fermion Operators Under Unitary Constraints, J. Chem. Theory Comput. 2022, 18, 3, 1480–1488 link

  • Google Quantum AI, Hartree-Fock on a superconducting qubit quantum computer. Science 369.6507 (2020): 1084-1089. link

Quantum information

  • Justin Provazza, Klaas Gunst, Huanchen Zhai, Garnet K.-L. Chan, Toru Shiozaki, Nicholas C. Rubin, Alec F. White, Fast emulation of fermionic circuits with matrix product states, arXiv:2312.17657

  • Andrew Zhao, Nicholas C. Rubin, Expanding the reach of quantum optimization with fermionic embeddings, arXiv:2301.01778

  • Andrew Zhao, Nicholas C. Rubin, Akimasa Miyake Fermionic partial tomography via classical shadows, Phys. Rev. Lett. 127, 110504 (2021) link

  • Nicholas C. Rubin, Klaas Gunst, Alec White, Leon Freitag, Kyle Throssell, Garnet Kin-Lic Chan, Ryan Babbush, Toru Shiozaki, The Fermionic Quantum Emulator, Quantum 5, 568 (2021) link

  • Zhihui Wang, Nicholas C. Rubin, Jason M. Dominy, Eleanor G. Rieffel XY-mixers: analytical and numerical results for QAOA, Phys. Rev. A 101, 012320 (2020) link

Resource estimation

  • Dominic W. Berry, Nicholas C. Rubin, Ahmed O. Elnabawy, Gabriele Ahlers, A. Eugene DePrince III, Joonho Lee, Christian Gogolin, Ryan Babbush, Quantum Simulation of Realistic Materials in First Quantization Using Non-local Pseudopotentials, arXiv:2312.07654

  • Nicholas C. Rubin, Dominic W. Berry, Alina Kononov, Fionn D. Malone, Tanuj Khattar, Alec White, Joonho Lee, Hartmut Neven, Ryan Babbush, Andrew D. Baczewski, Quantum computation of stopping power for inertial fusion target design, arXiv:2308.12352

  • Nicholas C. Rubin, Dominic W. Berry, Fionn D. Malone, Alec F. White, Tanuj Khattar, A. Eugene DePrince III, Sabrina Sicolo, Michael Kühn, Michael Kaicher, Joonho Lee, Ryan Babbush, Fault-tolerant quantum simulation of materials using Bloch orbitals, PRX Quantum 4, 040303 (2023) link

  • Joshua J. Goings, Alec White, Joonho Lee, Christofer S. Tautermann, Matthias Degroote, Craig Gidney, Toru Shiozaki, Ryan Babbush, Nicholas C. Rubin, Reliably assessing the electronic structure of cytochrome P450 on today's classical computers and tomorrow's quantum computers, Proceedings of the National Academy of Sciences 119, no. 38 (2022) link