Dr. Stefano Caprasecca

Contact

Email: stefano.caprasecca [at] for.unipi.it
Phone: +39 050 2219269

Curriculum vitae

2010 - present: Postdoctoral Fellow at the Department of Chemistry, University of Pisa
2010: PhD in Physics, The Open University, Milton Keynes
2007: Laurea Specialistica (MSc) in Chemistry, 'Sapienza' University of Rome
2005: Laurea Triennale (BSc) in Chemistry, 'Sapienza' University of Rome


Research interests

Photophysical properties of molecules and energy transfer processes.
Multiscale models to describe complex polarizable environments.


Selected Publications

Theoretical description of protein field effects on electronic excitations of biological chromophores
D Varsano, S Caprasecca, E Coccia
J. Phys.-Condens. Mat. 29, 013002 (2016)

An ab initio description of the excitonic properties of LH2 and their temperature dependence
L Cupellini, S Jurinovich, M Campetella, S Caprasecca, C A Guido, S M Kelly, A T Gardiner, R Cogdell, B Mennucci
J. Phys. Chem. B 120, 11348 (2016)

Efficient Photoinduced Charge Separation in a BODIPY–C60 Dyad
A Iagatti, L Cupellini, G Biagiotti, S Caprasecca, S Fedeli, A Lapini, E Ussano, S Cicchi, P Foggi, M Marcaccio, B Mennucci, M Di Donato
J. Phys. Chem. C 120, 16526 (2016)

A QM/MM approach using the AMOEBA polarizable embedding: from ground state energies to electronic excitations
D Loco, É Polack, S Caprasecca, L Lagardère, F Lipparini, JP Piquemal, B Mennucci
J. Chem. Theory Comput. 12, 3654 (2016)

Computational Studies of Environmental Effects and Their Interplay With Experiment
B Mennucci, S Caprasecca, C A Guido
Adv. Phys. Org. Chem.  50 (2016)

Control of Coherences and Optical Responses of Pigment–Protein Complexes by Plasmonic Nanoantennae
S Caprasecca, C A Guido, B Mennucci
J. Phys. Chem. Lett. 
7, 2189 (2016)

Corrected Linear Response State-specific correction to solvent polarization response
C A Guido, S Caprasecca
Molecolab whitepaper

Photoprotection and triplet energy transfer in higher plants: the role of electronic and nuclear fluctuations
L Cupellini, S Jurinovich, I Guarnetti-Prandi, S Caprasecca, B Mennucci
Phys. Chem. Chem. Phys. 18, 11288 (2016)

Achieving linear scaling in computational cost for a fully polarizable MM/Continuum embedding
S Caprasecca, S Jurinovich, L Lagardere, B Stamm, F Lipparini
J. Chem. Theory Comput. 11, 694 (2015)

Plasmon Enhanced Light Harvesting: Multiscale Modeling of the FMO Protein Coupled with Gold Nanoparticles
O Andreussi, S Caprasecca, L Cupellini, I Guarnetti-Prandi, C A Guido, S Jurinovich, L Viani, B Mennucci
J. Phys. Chem. A 119, 5197 (2015)

Combined Experimental and Theoretical Study of Efficient and Ultrafast Energy Transfer in a Molecular Dyad
M Di Donato, A Iagatti, A Lapini, P Foggi, S Cicchi, L Lascialfari, S Fedeli, S Caprasecca, B Mennucci
J. Phys. Chem. C 118, 23476 (2014)

Geometry Optimization in Polarizable QM/MM Models: The Induced Dipole Formulation
S Caprasecca, S Jurinovich, L Viani, C Curutchet, B Mennucci
J. Chem. Theory Comput. 10, 1588 (2014)

Excitation energy transfer in donor-bridge-acceptor systems: a combined quantum-mechanical/classical analysis of the role of the bridge and the solvent
S Caprasecca, B Mennucci
J. Phys. Chem. A 118, 6484 (2014)

Dissecting the Nature of Exciton Interactions in Ethyne-Linked Tetraarylporphyrin Arrays
S Caprasecca, C Curutchet, B Mennucci
J. Phys. Chem. C 117, 12423 (2013)

Toward a Unified Modeling of Environment and Bridge-Mediated Contributions to Electronic Energy Transfer: A Fully Polarizable QM/MM/PCM Approach
S Caprasecca, C Curutchet, B Mennucci
J. Chem. Theory Comput. 8, 4462 (2012)

Electron attachment to molecules in a cluster environment
I I Fabrikant, S Caprasecca, G A Gallup, J D Gorfinkiel
J. Chem. Phys. 136, 184301 (2012)

Quantum mechanical study of the solvent-dependence of electronic energy transfer rates in a Bodipy closely-spaced dyad
S Caprasecca, C Curutchet, B Mennucci
Photoch. & Photobio. Sci. 10, 1602 (2011)

A Multiple-scattering approach to electron collisions with small molecular clusters
J D Gorfinkiel, S Caprasecca
In Radiation Damage in Biomolecular Systems p. 127 (2011)
G. G. Gómez-Tejedor & M. C. Fuss (Editors)
Springer Netherlands

Theoretical investigation of the mechanism and dynamics of intramolecular coherent resonance energy transfer in soft molecules: a case study of dithia-anthracenophane
L Yang, S Caprasecca, B Mennucci, S Jang
J. Am. Chem. Soc. 132, 16911 (2010)

Computed vibrational excitation of CF4 by low-energy electrons and positrons: Comparing calculations and experiments
J Franz, I Baccarelli, S Caprasecca, F A Gianturco
Phys. Rev. A 80, 1 (2009)

Multiple scattering approach to elastic electron collisions with molecular clusters
S Caprasecca, J D Gorfinkiel, D Bouchiha, L G Caron
J. Phys. B 42, 095205 (2009)