activity
20122023
most citedOctopus, a computational framework for exploring light-driven phenomena and quantum dynamics in extended and finite systems

415 citations · 477 across the 12 of their papers we have counts for

collaborators

12 papers

cond-mat.mtrl-sci2023

A new mean field approach to finite spin systems

Gabriel Gil, Augusto Gonzalez

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 b…

physics.chem-ph2022

A new channel for excitonic transport in the FMO complex

Daniel López Díaz, Gabriel Gil, Augusto González

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 st…

cond-mat.mtrl-sci2021★ 18 cited

LayerPCM: An implicit scheme for dielectric screening from layered substrates

Jannis Krumland, Gabriel Gil, Stefano Corni +1

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…

physics.chem-ph2020★ 1 cited

Enhanced light-harvesting of protein-pigment complexes assisted by a quantum dot antenna

Gabriel Gil, Guido Goldoni, Stefano Corni

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-Matte…

physics.chem-ph2020★ 19 cited

Nonequilibrium Solvent Polarization Effects in Real-Time Electronic Dynamics of Solute Molecules Subject to Time-Dependent Electric Fields: A New Feature of the Polarizable Continuum Model

Gabriel Gil, Silvio Pipolo, Alain Delgado +2

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 quan…

physics.chem-ph2019★ 10 cited

Quantum Optimal Control Theory for Solvated Systems

Marta Rosa, Gabriel Gil, Stefano Corni +1

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 dielect…