E
Emanuele Coccia
Researcher at University of Trieste
Publications - 53
Citations - 1160
Emanuele Coccia is an academic researcher from University of Trieste. The author has contributed to research in topics: Quantum Monte Carlo & Diffusion Monte Carlo. The author has an hindex of 20, co-authored 53 publications receiving 921 citations. Previous affiliations of Emanuele Coccia include University of Padua & University of Paris.
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Manipulating azobenzene photoisomerization through strong light–molecule coupling
TL;DR: In this paper, the authors use computational photochemistry to show how to control azobenzene photoisomerization through hybrid light-molecule states (polaritons).
Journal ArticleDOI
Manipulating azobenzene photoisomerization through strong light-molecule coupling
TL;DR: Computational photochemistry is used to show how to control azobenzene photoisomerization through hybrid light–molecule states (polaritons) and disclose various mechanisms peculiar of polaritonic chemistry.
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Static and Dynamical Correlation in Diradical Molecules by Quantum Monte Carlo Using the Jastrow Antisymmetrized Geminal Power Ansatz.
TL;DR: The suitability of JAGP to correctly describe diradicals with a computational cost comparable with that of a JSD calculation, in combination with a favorable scalability of QMC algorithms with the system size, opens new perspectives in the ab initio study of large diradical systems.
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Ab Initio Geometry and Bright Excitation of Carotenoids: Quantum Monte Carlo and Many Body Green’s Function Theory Calculations on Peridinin
TL;DR: The singlet ground state structure of the full carotenoid peridinin by means of variational Monte Carlo (VMC) calculations is reported and the HOMO-LUMO major contribution of the Bu(+)-like (S2) bright excited state is confirmed.
Journal ArticleDOI
Bosonic helium droplets with cationic impurities: onset of electrostriction and snowball effects from quantum calculations.
Emanuele Coccia,Enrico Bodo,F. Marinetti,Franco A. Gianturco,E. Yildrim,Mine Yurtsever,Ersin Yurtsever +6 more
TL;DR: This study focuses on two of the most striking features of the microsolvation in a quantum solvent of a cationic dopant: electrostriction and snowball effects.