Zobrazeno 1 - 10
of 136
pro vyhledávání: '"Gil, Gabriel"'
Autor:
Gil, Gabriel, Gonzalez, Augusto
It is shown that a spin system is equivalent to a set of constrained harmonic oscillators. For finite, but large, systems, a continuous approximation to the density of states can be used, and the oscillator frequencies can be exactly computed. In the
Externí odkaz:
http://arxiv.org/abs/2305.05032
We expose a new excitation transport channel in FMO, consisting of the 7 intramonomeric pigments and their 2nd nearest intermonomeric counterpart. Such a channel outcompetes the standard alternative, where intramonomeric pigments partner with their c
Externí odkaz:
http://arxiv.org/abs/2112.10667
Publikováno v:
J. Chem. Phys. 154, 224114 (2021)
We present LayerPCM, an extension of the polarizable-continuum model coupled to real-time time-dependent density-functional theory for an efficient and accurate description of the electrostatic interactions between molecules and multilayered dielectr
Externí odkaz:
http://arxiv.org/abs/2103.07386
Autor:
de Siqueira Gil, Gabriel1 gil.gabriel@ufabc.edu.br
Publikováno v:
Revista Eptic Online. jan-abr2024, Vol. 26 Issue 1, p138-151. 14p.
We predict the enhanced light harvesting of a protein-pigment complex when assembled to a quantum dot (QD) antenna. Our prototypical nanoassembly setup is composed of a Fenna-Mattews-Olson system hosting 8 Bacteriochlorophyll (BChl) a dyes, and a nea
Externí odkaz:
http://arxiv.org/abs/2008.03341
We adapt the hybrid mechanistic-statistical approach of Ref. [1] to estimate the total number of undocumented Covid-19 infections in Cuba. This scheme is based on the maximum likelihood estimation of a SIR-like model parameters for the infected popul
Externí odkaz:
http://arxiv.org/abs/2008.03332
Publikováno v:
J. Chem. Theory Comput. 2019, 15, 4, 2306-2319
We develop an extension of the time-dependent equation-of-motion formulation of the polarizable continuum model (EOM-TDPCM) to introduce nonequilibrium cavity field effects in quantum mechanical calculations of solvated molecules subject to time-depe
Externí odkaz:
http://arxiv.org/abs/2004.07337
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
Autor:
Tancogne-Dejean, Nicolas, Oliveira, Micael J. T., Andrade, Xavier, Appel, Heiko, Borca, Carlos H., Breton, Guillaume Le, Buchholz, Florian, Castro, Alberto, Corni, Stefano, Correa, Alfredo A., De Giovannini, Umberto, Delgado, Alain, Eich, Florian G., Flick, Johannes, Gil, Gabriel, Gomez, Adrián, Helbig, Nicole, Hübener, Hannes, Jestädt, René, Jornet-Somoza, Joaquim, Larsen, Ask H., Lebedeva, Irina V., Lüders, Martin, Marques, Miguel A. L., Ohlmann, Sebastian T., Pipolo, Silvio, Rampp, Markus, Rozzi, Carlo A., Strubbe, David A., Sato, Shunsuke A., Schäfer, Christian, Theophilou, Iris, Welden, Alicia, Rubio, Angel
Publikováno v:
J. Chem. Phys. 152, 124119 (2020)
Over the last years extraordinary advances in experimental and theoretical tools have allowed us to monitor and control matter at short time and atomic scales with a high-degree of precision. An appealing and challenging route towards engineering mat
Externí odkaz:
http://arxiv.org/abs/1912.07921
Publikováno v:
Repositório Institucional da UNESPUniversidade Estadual PaulistaUNESP.
Submitted by Gabriel Oliveira Bernardes Gil (gabrielbgil@yahoo.com.br) on 2018-05-30T18:23:38Z No. of bitstreams: 1 ESTRATÉGIAS PARA PRESERVAÇÃO DA FUNÇÃO OVARIANA EM PACIENTES COM CÂNCER DE COLO UTERINO SUBMETIDAS À RADIOTERAPIA PÉLVICA: DES
Externí odkaz:
http://hdl.handle.net/11449/154138