Luca De Vico

University of Siena — Italy

Neuroscience · Life Sciences

26h-index5.4kcitations80works1.22yr avg
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Research Topics

Photoreceptor and optogenetics research(27), Spectroscopy and Quantum Chemical Studies(21), Advanced Chemical Physics Studies(16), Photosynthetic Processes and Mechanisms(10), Photochemistry and Electron Transfer Studies(8)

Publications80 total

On the Role of Electronic Correlation and State‐Specific Environment Polarization in Singlet–Triplet Gap Inversion
Journal of Computational Chemistry·2025Open Access
On the role of electronic correlation and state-specific environment polarization in Singlet–Triplet gap inversion
2025Open Access
On the role of electronic correlation and state-specific environment polarization in Singlet–Triplet gap inversion
2025Open Access
Circularly Polarized Luminescence from an Inverted Singlet–Triplet Chiral Dye
Journal of the American Chemical Society·2025· 4 cited
Tunable Spectral Properties and Excitonic Couplings of Bacteriochlorophyll-like Dimer Aggregates
The Journal of Physical Chemistry B·2025Open Access
Tunable Spectral Properties and Excitonic Couplings of Bacteriochlorophyll-like Dimer Aggregates
2025Open Access
Tunable Spectral Properties and Excitonic Couplings of Bacteriochlorophyll-like Dimer Aggregates
2025
Computational Design of (B)Chl Models: Structural and Chemical Modifications toward Enriched Properties
The Journal of Physical Chemistry B·2024· 2 cited
Multiconfigurational Excitonic Couplings in Homo- and Heterodimer Stacks of Azobenzene-Derived Dyes
The Journal of Physical Chemistry A·2024· 2 citedOpen Access
A Multireference View of Photosynthesis: Uncovering Significant Site Energy Variations among Isolated Photosystem II Reaction Center Chlorophylls
ACS Omega·2024· 4 citedOpen Access
The OpenMolcas <i>Web</i> : A Community-Driven Approach to Advancing Computational Chemistry
Journal of Chemical Theory and Computation·2023· 290 citedOpen Access
A Multiconfigurational Wave Function Implementation of the Frenkel Exciton Model for Molecular Aggregates
Journal of Chemical Theory and Computation·2023· 12 citedOpen Access
A multiconfigurational wavefunction implementation of the Frenkel exciton model for molecular aggregates
2023Open Access
The OpenMolcas Web: A Community-Driven Approach to Advancing Computational Chemistry
2023· 1 citedOpen Access
The OpenMolcas Web: A Community-Driven Approach to Advancing Computational Chemistry
2023· 15 citedOpen Access
A multiconfigurational wavefunction implementation of the Frenkel exciton model for molecular aggregates
2023· 1 citedOpen Access
Automated QM/MM Screening of Rhodopsin Variants with Enhanced Fluorescence
Journal of Chemical Theory and Computation·2022· 21 cited
Source Code of PyARM package for the publication: "Automated QM/MM Screening of Rhodopsin Variants with Enhanced Fluorescence"
Zenodo (CERN European Organization for Nuclear Research)·2022Open Access
On the fluorescence enhancement of arch neuronal optogenetic reporters
Nature Communications·2022· 26 citedOpen Access
Evolution of the Automatic Rhodopsin Modeling (ARM) Protocol
Topics in Current Chemistry·2022· 18 citedOpen Access
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Frequent Co-authors

Massimo Olivucci(20), Roland Lindh(10), Nicolas Ferré(9), Laura Pedraza‐González(9), Jan H. Jensen(9), Francesco Aquilante(6), Valera Veryazov(6), Marco Garavelli(6), Thorsten Hansen(6), Markus Reiher(5), Igor Schapiro(5), Daniele Padula(5), Ya‐Jun Liu(5), André Anda(5), Jochen Autschbach(4), Liviu F. Chibotaru(4), Mickaël G. Delcey(4), Ignacio Fdez. Galván(4), Laura Gagliardi(4), Artur Nenov(4)