Laboratory for Computational Photochemistry and Photobiology


The Laboratory for Computational Photochemistry and Photobiology (LCPP) is a bi-national lab devoted to the development of tools for mapping excited state potential energy surfaces and for the systematic characterization of the photochemical reactivity of different classes of organic and biological chromophores. The main target of LCPP is to help to establish and consolidate a branch of computational chemistry entirely devoted to the investigation of light-induced phenomena in molecular and bio-molecular materials. This also includes the introduction of new generations of MSc and Graduate students to the methods of theoretical and computational photochemistry. The research activity focuses on the development and application of state-of-the-art computational protocols for the simulation of photophysical and photochemical processes in both isolated chromophores and in the condensed phase. Ultimately, these methodologies will be used to provide an atomic-level description of the mechanism of light energy transduction from the single-molecule level to complex systems.

The basic activity is dominated by the search for the mechanisms that control the light energy wastage and exploitation at the molecular level. It is expected that different technological applications, in the field of the control of the three-dimensional architecture and reactivity of molecules of technological or biological interest is pursued. This includes the design of molecular devices or biological molecules (i.e. peptides or proteins) with certain desired optical or photochemical properties. The development of novel (or more effective) computational tools is also part of our research activity.


An Overview

Contact Us

Prof. Massimo Olivucci


Dipartmento di Chimica

Universita di Siena

Via A. De GasPeri 2, 53100 Siena, Italy

Chemistry Department

Bowling Green State University

Bowling Green, OH 43403, USA