Quantum algorithm for alchemical optimization in material design
- Panagiotis Kl. Barkoutsos
- Fotios Gkritsis
- et al.
- 2021
- Chemical Science
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5 results for Igor O. Sokolov
Orders of magnitude increased accuracy for quantum many-body problems on quantum computers via an exact transcorrelated method
- Igor O. Sokolov
- Werner Dobrautz
- et al.
- 2023
- PRResearch
Microcanonical and finite-temperature ab initio molecular dynamics simulations on quantum computers
- Igor O. Sokolov
- Panagiotis Kl. Barkoutsos
- et al.
- 2021
- PRResearch
Quantum orbital-optimized unitary coupled cluster methods in the strongly correlated regime: Can quantum algorithms outperform their classical equivalents?
- Igor O. Sokolov
- Panagiotis Kl. Barkoutsos
- et al.
- 2020
- Journal of Chemical Physics
Quantum algorithms for electronic structure calculations: Particle-hole Hamiltonian and optimized wave-function expansions
- Panagiotis Kl. Barkoutsos
- Jerome F. Gonthier
- et al.
- 2018
- Physical Review A