Quantum HF/DFT-embedding algorithms for electronic structure calculations: Scaling up to complex molecular systems
- Max Rossmannek
- Panagiotis Kl. Barkoutsos
- et al.
- 2021
- Journal of Chemical Physics
Publications
79 results for Quantum Use Cases
Probing resonating valence bond states in artificial quantum magnets using scanning tunneling microscopy
- Kai Yang
- Soo-hyon Phark
- et al.
- 2021
- APS March Meeting 2021
Simulating photosynthesis on an IBM quantum computer
- Ben Jaderberg
- Alexander Eisfeld
- et al.
- 2021
- APS March Meeting 2021
Computational investigations of the lithium superoxide dimer rearrangement on noisy quantum devices
- Qi Gao
- Jeannette M. Garcia
- et al.
- 2021
- Journal of Physical Chemistry A
Resource-efficient quantum algorithm for protein folding
- Anton Robert
- Panagiotis Kl. Barkoutsos
- et al.
- 2021
- npj Quantum Information
Quantum simulation of electronic structure with a transcorrelated Hamiltonian: Improved accuracy with a smaller footprint on the quantum computer
- Mario Motta
- Tanvi P. Gujarati
- et al.
- 2020
- Physical Chemistry Chemical Physics
Toward scalable simulations of lattice gauge theories on quantum computers
- Simon V. Mathis
- Guglielmo Mazzola
- et al.
- 2020
- Physical Review D
Quantum Algorithms for Quantum Chemistry and Quantum Materials Science
- Bela Bauer
- Sergey Bravyi
- et al.
- 2020
- Chemical Reviews
Quantum equilibration of the double-proton transfer in a model system porphine
- Guillermo Albareda
- Arnau Riera
- et al.
- 2020
- Physical Chemistry Chemical Physics
Entanglement production and convergence properties of the variational quantum eigensolver
- Andreas J.C. Woitzik
- Panagiotis Kl. Barkoutsos
- et al.
- 2020
- Physical Review A