Dr. Sandro Jurinovich

sandro

Contact

Dipartimento di Chimica e Chimica Industriale, University of Pisa
Via G. Moruzzi, 13, 56126, Pisa, Italy
Room: 152
Email: sandro.jurinovich[at]for.unipi.it
Phone: +39 050 2219204

Curriculum Vitae

January 2016 - today, Research Fellow
November 2012 - October 2015, PhD Student
February 2012 - April 2012, Research collaborator in VAT project
December 2009 - February 2012, Master Degree in Physical Chemistry
September 2006 - Dicember 2009, Bachelor Degree in Chemistry

Research Interests

My main research topic is focused on the development and the application of multiscale approaches to model multichromophoric systems in complex environments. More in details my interests are in the field of:

  • modelling of Electronic Energy Transfer processes in light-harvesting proteins;
  • simulation of optical spectra (absorption and circular dichroism) of molecular aggregates and biological molecules (protein, DNA);
  • development of software tools to analyze and perform calculations in the field of computational chemistry (see MoLECoLab tools section).

Citation Metrics

Publications

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. J. Cogdell, B. Mennucci. J. Phys. Chem. B, 2016, 120, 11348–11359.

Simulation of Electronic Circular Dichroism of Nucleic Acids:
From the Structure to the Spectrum

D. Padula, S. Jurinovich, L. Di Bari, B. Mennucci. Chem. Eur. J., 2016, 22, 17011-17019.

Photoprotection and triplet energy transfer in higher plants: The role of electronic and nuclear fluctuations
L. Cupellini, S. Jurinovich, I. G. Prandi, S. Caprasecca, B. Mennucci. Phys. Chem. Chem. Phys., 2016, 18, 11288-11296.

A fast but accurate excitonic simulation of the Electronic Circular Dichroism of Nucleic Acids: how can it be achieved?
D. Loco, S. Jurinovich, L. Di Bari, B. Mennucci. Phys. Chem. Chem. Phys., 2016, 18, 866-877.

Negative solvatochromism of push–pull biphenyl compounds: a theoretical study
S. Meng, S. Caprasecca, C. A. Guido, S. Jurinovich, B. Mennucci. Theor Chem Acc, 2015, 134, 150.

The role of magnetic-electric coupling in exciton-coupled ECD spectra. The case of bis-phenanthrenes
S. Jurinovich, C. A. Guido, T. Bruhn, G. Pescitelli, B. Mennucci. Chem. Comm., 2015, 51, 10498-10501.

Limits and Potentials of Quantum Chemical Methods in Modelling Photosynthetic Antennae
S. Jurinovich, L. Viani, C. Curutchet, B. Mennucci. Phys. Chem. Chem. Phys., 2015, 17, 30783-30792.

Towards an ab initio description of optical spectra of light-harvesting antennae: Application to the CP29 complex of photosystem II
S. Jurinovich, L. Viani, I. G. Prandi, T. Renger, B. Mennucci. Phys. Chem. Chem. Phys., 2015, 17, 14405-14416.

Achieving Linear Scaling in Computational Cost for a Fully Polarizable MM/Continuum Embedding
F. Lipparini, S. Jurinovich, S. Caprasecca, B. Stamm, L. Lagardere. J. Chem. Theory Comput., 2015, 11, 694–704.

Axially Chiral BODIPY DYEmers: An Apparent Exception to the Exciton Chirality Rule
T. Bruhn, G. Pescitelli, S. Jurinovich, A. Schaumlöffel, F. Witterauf, J. Ahrens, M. Bröring, G. Bringmann. Angew. Chem. Int. Ed., 2014, 53, 14592–14595.

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, 2015, 119, 5197-5206.

The Fenna–Matthews–Olson Protein Revisited: A Fully Polarizable (TD)DFT/MM Description
S. Jurinovich, C. Curutchet, B. Mennucci. ChemPhysChem, 2014, 15, 3194–3204.

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., 2014, 10, 1588–1598.

A TDDFT/MMPol/PCM model for the simulation of exciton-coupled circular dichroism spectra
S. Jurinovich, G. Pescitelli, L. Di Bari, B. Mennucci. Phys. Chem. Chem. Phys., 2014, 16, 16407-16418.

A Strategy for the Study of the Interactions Between Metal-Dyes and Proteins with QM/MM approaches: The Case of Iron-Gall Dye
S. Jurinovich, I. Degano, B. Mennucci. J. Phys. Chem. B, 2012, 116, 13344–13352.

Integrated NMR and Computational Study of Push-Pull NLO Probes: Interplay of Solvent and Structural Effects
A. Marini, S. Macchi, S. Jurinovich, D. Catalano, B. Mennucci. J. Phys. Chem. A, 2011, 115, 10035–10044.