Detalhe da pesquisa
1.
Reliably assessing the electronic structure of cytochrome P450 on today's classical computers and tomorrow's quantum computers.
Proc Natl Acad Sci U S A
; 119(38): e2203533119, 2022 09 20.
Artigo
em Inglês
| MEDLINE | ID: mdl-36095200
2.
Classical and quantum trial wave functions in auxiliary-field quantum Monte Carlo applied to oxygen allotropes and a CuBr2 model system.
J Chem Phys
; 159(4)2023 Jul 28.
Artigo
em Inglês
| MEDLINE | ID: mdl-37522404
3.
A quantum computing view on unitary coupled cluster theory.
Chem Soc Rev
; 51(5): 1659-1684, 2022 Mar 07.
Artigo
em Inglês
| MEDLINE | ID: mdl-35166276
4.
Quantum Chemistry in the Age of Quantum Computing.
Chem Rev
; 119(19): 10856-10915, 2019 10 09.
Artigo
em Inglês
| MEDLINE | ID: mdl-31469277
5.
Spin polynomial similarity transformation for repulsive Hamiltonians: interpolating between coupled cluster and spin-projected unrestricted Hartree-Fock.
Phys Chem Chem Phys
; 19(33): 22385-22394, 2017 Aug 23.
Artigo
em Inglês
| MEDLINE | ID: mdl-28805863
6.
Merging symmetry projection methods with coupled cluster theory: Lessons from the Lipkin model Hamiltonian.
J Chem Phys
; 146(5): 054110, 2017 Feb 07.
Artigo
em Inglês
| MEDLINE | ID: mdl-28178824
7.
Reducing the Runtime of Fault-Tolerant Quantum Simulations in Chemistry through Symmetry-Compressed Double Factorization.
J Chem Theory Comput
; 20(11): 4639-4653, 2024 Jun 11.
Artigo
em Inglês
| MEDLINE | ID: mdl-38788209
8.
Estimation of Electrostatic Interaction Energies on a Trapped-Ion Quantum Computer.
ACS Cent Sci
; 10(4): 882-889, 2024 Apr 24.
Artigo
em Inglês
| MEDLINE | ID: mdl-38680570
9.
Accurate non-covalent interaction energies on noisy intermediate-scale quantum computers via second-order symmetry-adapted perturbation theory.
Chem Sci
; 14(13): 3587-3599, 2023 Mar 29.
Artigo
em Inglês
| MEDLINE | ID: mdl-37006701
10.
Towards the simulation of large scale protein-ligand interactions on NISQ-era quantum computers.
Chem Sci
; 13(11): 3094-3108, 2022 Mar 16.
Artigo
em Inglês
| MEDLINE | ID: mdl-35414867