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img nao iupac trasp     ITALIAN NATIONAL


Massimo Olivucci
E-mail: This email address is being protected from spambots. You need JavaScript enabled to view it.
CASPT2//CASSCF/MM of Proteins

Ferré, N. and Olivucci, M. J. Am. Chem. Soc., 2003 125, 6868-6869.


FULL NAME: Massimo Olivucci
DATE OF BIRTH: February 28, 1958

I. Appointments

Position: Post Doc (with Prof. Michael A. Robb)
Date: 1989-1992
Place: King's College London (UK)

Position: Ricercatore (Lecturer)
Date: 1992-1998
Place: Università di Bologna

Position: Associate Professor of Organic Chemistry
Date: 1998-2001
Place: Università di Siena

Position: Full Professor of Organic Chemistry
Date: 2001-
Place: Università di Siena

Position: Research Professor and Director of the Laboratory of Computational Photochemistry and Photobiology.
Date: 2006-
Place: Bowling Green State University, OH (USA)

II. Education

Qualification: Laurea in Chimicaa (equivalent to UK-USA MSc)
March 1984
Università di Bologna

Qualification: Ph.D. in Chemistryb (with Prof. Fernando Bernardi)
Date: October 1988
Università di Bologna

a Project title: “Diabatic Decomposition of Adiabatic Surfaces at the Theoretical Level.”
b Thesis title: “Adiabatic and Diabatic Surfaces in Chemical Reactivity”.


Over 200 research papers published in international journals. These include 67 papers in the Journal of the American chemical society, 9 papers in Angewandte Chemie International Edition, 9 papers in multidisciplinary science journals such as the Proceedings of the National Academy of Science USA (9 papers) and the Science Magazine (1 paper). Our work focuses on the investigation of organic and bio-organic reactivity using theoretical and computational tools. The current work is focuses on two research lines: The investigation of the light energy conversion processes in biological photoreceptors and the design of biomimetic photo-driven molecular switches/rotary motors. The development of novel (or more effective) computational methodologies and strategies is also part of our research activity. Further information on the research group (The Laboratory for Photochemistry and Photobiology) and activities can be found in the group homepage:

I. Research Achievements

Three different objectives have been achieved over the years. The first objective aimed to a deeper understanding of the Woodward-Hoffmann selection rules (W.-H. rules) for pericyclic reactions to the development of new computational tools capable of treating reactivity problems in small to medium size (few hundred atoms) organic molecules. The second objective involved the development of protocols for mapping excited state energy surfaces and a systematic characterization of the photochemical reactivity of different classes of organic and biological chromophores. The third and present objective includes the development and application of excited state reaction path and trajectory computations using a quantum mechanics/molecular-mechanics protocol. In this context the group represents one of the first and few with expertise in the development and applications of quantum mechanics/molecular mechanics methods for excited states and in particular for photochemical reactions occurring in complex matrices such as a protein environment. Notice that the quantum mechanical part is usually treated at the ab initio multiconfigurational level (mainly CASPT2 and CASPT2//CASSCF protocols). This methodology is being intensively exploited for the investigation of photoisomerizations and luminescence reactions in biological photoreceptors and for the design of novel photoresponsive materials. Recently, the group has reported in the Science Magazine.


I Hirsh (h) Factor

53 (based on ISI-Web of Science)
Invited Visiting Professor at the University of Strasbourg, Strasbourg, France, October 2012.

II Recent Invited and Plenary Lectures (2010-2014)

1 Keynote, 5 Plenary and 20 Invited lectures

III Prizes, Media & Outreach

1. “Angelo Mangini” Medal for Research 2010 of the Organic Chemistry Division of the Italian Chemical Society.

2. National Prize "FEDERCHIMICA", 11th edition, 1999.

3. Finalist of the European Community 2001 Descartes Prize for scientific excellence (see

4. Research Prize 2004 of the Organic Chemistry Division of the Italian Chemical Society.

5. Documentary on the Chemistry of Conical Intersection: “Paysage” by Vincent Gaullier & Angelo Caperna, broadcasted in France/Europe for the TV-Program “ARCHIMEDES”.

6. Movie of the Lecture “Computational Photobiology”. Available and broadcasted on-line from the Universite de Marseille, France.

Editor, Membership and Other Synergistic Activities

• Member of the Editorial Board of Topics in Current Chemistry 2009-
• Member of the Theoretical Chemistry Accounts Editorial Board 2001-2008
• IUPAC member of the sub-commission in photochemistry 2001-
• Computational Photochemistry, Theoretical and Computational Chemistry Vol. 16, Elsevier, Amsterdam, 2005.
• Special Issue of Molecular Physics dedicated to Prof. M. A. Robb, 2006, Vol. 104.
• Member of the Driving Committee of the Italian Photochemistry Group (GIF) 2003 - 2006
• Member of the Driving Committee of the Italian Computational Chemistry Group (GICC) 2001- 2006
• Member of the Italian Chemical Society
• Member of the American Chemical Society
• Organizer of the E-WISPOC (European Winter School of Physical Organic Chemistry) 1-6 February, 2008-2010.
• Member of the European COST ACTION “CODECS” for “Computational Spectroscopy” 2011- One of the Five Members of the MIUR Committee for the National Qualification to the Roles of Associate and Full Professor of Organic Chemistry. 2012-2014.
• Italian Delegate for CNR/IUPAC committee 2013-2014.
• Member of the American Physical Society.

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