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Lucas Viani

Lucas Viani

Doctorate from:
University of Mons, Belgium

Institute at UC3M:
Gregorio Millán Barbany Institute


CONEX Fellow from 02/02/15 to 09/05/17


"DySim- Treating Dynamic Processes Dynamically"

DySim is inserted in an attractive field of research related to the development of new electronic de - vices based on organic semiconductors, which are candidates to fulfill the needs of the contemporary society. Its main goal is the development of tools needed to treat electronic dynamic processes taking place in macromolecular systems in a realistic manner via computational methods.

These new tools are of key importance in the design of new concepts for electronic devices based on organic semiconductors such as organic photovoltaic cells (OPVs), and light-emitting diodes (OLEDs) allowing to boost their efficiencies through a detailed understanding of exciton dynamics in conjugated organic materials. During this project, a new set of theoretical tools capable of describing in a realistic way the ET dynamics among organic small molecules will be developed in order to validate the experimental data and to assess the information currently not available experimentally with the ultimate goal of controlling excitons by molecular design for tailor made optoelectronic applications paving the way to their large scale commercialization.


He graduated with a B.S. in physics from the University of Campinas in 2004, and got his M.S. also in physics at the University of São Paulo in 2006 (supervised by Maria Cristina dos Santos). In 2007 he joined the group of Roberto Lazzaroni at the University of Mons where he got in 2010 his Ph.D. in chemistry, supervised by Jérôme Cornil and Johannes Gierschner within the framework of the european RTN Nanomatch. He was a postdoctoral fellow in the group of Jean-Luc Brédas at Georgia Institute of Technology until be beginning of 2012, when he joined the group of Benedetta Mennucci at the University of Pisa, inserted in the ERC-starting grant EnLight, until early 2015.

His research interests deal with the theoretical characterization of the electronic and optical properties of organic conjugated compounds, as well as the nature and dynamics of charge and electronic excitations among conjugated molecules.

He is also interested in developing methods for visualization and analysis of molecular properties and dynamics. He is the developer of the software MView.

Dissemination activities

Scientific Publications:

  • I.G. Prandi, L. Viani, O. Andreussi, B. Mennucci."Combining classical molecular dynamics and quantum mechanical methods for the description of electronic excitations: The case of carotenoids", Journal of Computational Chemistry 2016, 37, 981–991, DOI: 10.1002/jcc.24286
  • L. Viani, A. Minoia, J. cornil, D. Beljonne, H-J. Egelhaaf, and J. Gierschner, “Resonant Energy Transport in Dye-Filled Monolithic Crystals of Zeolite L: Modeling of Inhomogeneity”, J. Phys. Chem. C, 2016, 120 (48), pp 27192–27199, DOI: 10.1021/acs.jpcc.6b10038.
  • S. Jurinovich, L. Viani, C. Curutchet, B. Mennucci, "Limits and potentials of quantum chemical methods in modelling photosynthetic antennae", Phys. Chem. Chem. Phys., 2015,17, 30783-30792, DOI: 10.1039/C5CP00986C
  • Gesevicius, D., Neels, A., Jenatsch, S., Hack, E., Viani, L., Athanasopoulos, S., Nüesch, F., Heier, J. (2018). "Increasing Photovoltaic Performance of an Organic Cationic Chromophore by Anion Exchange. Advanced Science", 5(2), DOI: 10.1002/advs.201700496
  • Shi, J., Yoon, S.-J., Viani, L., Park, S.Y., Milián-Medina, B., Gierschner, J. "Twist-Elasticity-Controlled Crystal Emission in Highly Luminescent Polymorphs of Cyano-Substituted Distyrylbenzene (beta DCS)" Advanced Optical Materials , 2017 , 5 ,DOI: 10.1002/adom.201700340.

Other Communication and Dissemination Activities:

  • 07-08 July 2016: 18th International Conference on Materials, Minerals and Polymer Engineering. Title: “Discovering new organic materials through computational methods”.
  • 27-28 January 2017: 8th European Symposium on Computing π-Conjugated Compounds. Title: “Resonant Energy Transport in Dye-Filled Monolithic Crystals of Zeolite L: Modeling of Inhomogeneity”
  • February 2016: 7th European Symposium on Computing π-Conjugated Compounds,"Selecting new organic materials through simulations"
  • Entrevista en televisión- RTVE 2