Zobrazeno 1 - 10
of 262
pro vyhledávání: '"Rosa, Marta"'
Fast-forwarding molecular ground state preparation with optimal control on analog quantum simulators
We show that optimal control of the electron dynamics is able to prepare molecular ground states, within chemical accuracy, with evolution times approaching the bounds imposed by quantum mechanics. We propose a specific parameterization of the molecu
Externí odkaz:
http://arxiv.org/abs/2402.11667
Publikováno v:
Phys. Rev. A 103, 022613 (2021)
We develop an hybrid quantum-classical algorithm to solve an optimal population transfer problem for a molecule subject to a laser pulse. The evolution of the molecular wavefunction under the laser pulse is simulated on a quantum computer, while the
Externí odkaz:
http://arxiv.org/abs/2007.00368
Publikováno v:
J Chem Phys 151, 194109 (2019)
In this work, we extend the quantum optimal control theory of molecules subject to ultrashort laser pulses to the case of solvated systems, explicitly including the solvent dielectric properties in the system Hamiltonian. A reliable description of th
Externí odkaz:
http://arxiv.org/abs/1912.09941
Publikováno v:
Nanoscale, 2019,11, 6004-6015
The description of optical properties of subnanometer junctions is particularly challenging. Purely classical approaches fail, because the quantum nature of electrons needs to be considered. Here we report on a novel classical fully atomistic approac
Externí odkaz:
http://arxiv.org/abs/1905.00896
Autor:
Gómez Pato, Rosa Marta, author
Publikováno v:
Exile and Gender I: Literature and the Press. 17:76-87
Autor:
Rosa, Marta1,2,3 marta.rosa@essaude.ipsantarem.pt, Samartinho, João4,5 samartinho@esg.ipsantarem.pt
Publikováno v:
Revista UI_IPSantarem. 2023, Vol. 11 Issue 4, p16-23. 8p.
Autor:
Rosa, Marta Ferreira
Publikováno v:
Repositório Institucional da UnBUniversidade de BrasíliaUNB.
Dissertação (mestrado)—Universidade de Brasília, Instituto de Ciências Humanas, Departamento de Serviço Social, Programa de Pós-Graduação em Política Social, 2015.
Submitted by Fernanda Percia França (fernandafranca@bce.unb.br) on 20
Submitted by Fernanda Percia França (fernandafranca@bce.unb.br) on 20
Externí odkaz:
http://repositorio.unb.br/handle/10482/20194
Publikováno v:
J. Chem. Theory Comp. 12, 9 (2016)
We introduce a method to evaluate the relative populations of different conformers of molecular species in solution, aiming at quantum mechanical accuracy, while keeping the computational cost at a nearly molecular-mechanics level. This goal is achie
Externí odkaz:
http://arxiv.org/abs/1704.06144
Publikováno v:
J. Chem. Theory Comput., 2016, 12 (9), pp 4423-4429
We introduce a multimodel approach to the simulation of the optical properties of molecular dyes in solution, whereby the effects of thermal fluctuations and of dielectric screening on the absorption spectra are accounted for by explicit and implicit
Externí odkaz:
http://arxiv.org/abs/1704.05662
Autor:
Rosa, Marta1 (AUTHOR), Dall'Osto, Giulia2 (AUTHOR), Cammi, Roberto3 (AUTHOR) roberto.cammi@unipr.it, Corni, Stefano2,4 (AUTHOR) stefano.corni@unipd.it
Publikováno v:
Theoretical Chemistry Accounts: Theory, Computation, & Modeling. Aug2023, Vol. 142 Issue 8, p1-13. 13p.