Contact info:
Dr. Lluís Blancafort
lluis.blancafort@udg.edu
Tel. (+34) 696 89 81 52
Daniel Bosch, Jun Wang, Lluís Blancafort
Fingerprint-based deep neural networks can model thermodynamic and optical properties of eumelanin DHI dimers
Chem. Sci., 2022, 13, 8942-8946
DOI: 10.1039/D2SC02461F
Jun Wang LB, Lluís Blancafort
Stability and optical absorption of a comprehensive virtual library of minimal eumelanin oligomer models
Angew. Chem. Int. Ed., 2021, 60, 18800-18809
DOI: 10.1002/anie.202106289
Maria A. Trachsel, Susan Blaser, Simon Lobsiger, Luca Siffert, Hans-Martin Frey, Lluís Blancafort, Samuel Leutwyler
Locating Cytosine Conical Intersections by Laser Experiments andAb Initio Calculations
J. Phys. Chem. Lett., 2020, 11, 3203-3210
DOI: 10.1021/acs.jpclett.0c00779
Rachel Crespo-Otero, Quansong Li, Lluís Blancafort
Exploring Potential Energy Surfaces for Aggregation‐Induced Emission—From Solution to Crystal
Chem. Asian J., 2019, 14, 700-714
DOI: 10.1002/asia.201801649
We focus on relevant applications in biology, chemistry and materials, including:
– Biological chromophores: DNA nucleobases, GFP chromophore, coelenteramides
– Photochemical reactions: diazo-based switches, Wolff rearrangement, excited state hydrogen transfer
– Aggregates: AIEgens, melanin
– Photocatalysis on semiconductors
– Extended conical intersection seams
Melanin is the biopolymer responsible for protection against harmful light action in living beings. In this line we model its photochemical and photophysical properties, starting from the oligomeric components and moving up to small aggregates, nanoparticles, and large melanosomes. Research funded by Mel.Photo.Protect Marie Sklodowska Curie IF of Jun Wang.
In this project we model the photophysics of new Gd-based photosensitizers with the aim of developing a new hybrid technology for treatment of deep lying tumours, combining neutron-activated and photodynamic therapy. Research funded by FRINGE FET-OPEN project.
Aggregation induced emission (AIE) is an important property of luminescent molecules, since it facilitates their use as luminophores in optical applications. We have introduced the Restricted Access to a Conical Intersection model to explain the behavior of AIEgens in solution and are currently developing approaches to model the photophysics of AIEgen aggregates and crystals.
In this line we are pioneering the combination of periodical calculations with a photochemical approach to explain prototypical cases of photocatalytic reactivity (H2O and CH3OH on TiO2). Our approach considers different excitonic configurations and allows to directly assess the probability of charge recombination.
– Ben-Zhong Tang (Hong-Kong University of Science and Technology): AIEgens
– Samuel Leutwyler (University of Bern): Cytosine derivatives
– Stephen R. Meech (East Anglia University) GFP chromophore derivatives
– Bern Kohler (Ohio State University): Melanin components
– Germano Giuliani (Università degli Studi di Siena): Coelenteramides
– Asier Longarte (Euskal Herriko Unibertsitatea): N-heterocycles
Prof. Agregat
Visitant Professor
Supervisor:Postdoc (BP)
Supervisor:PhD Student (FI)
Supervisor:PhD Student (FI)
Supervisor:PhD student
Supervisor:PhD Student (FPI)
Supervisor:PhD Student
Supervisor:Every year in September since 2008, the IQCC is organizing together with the
The standardized citation metric analysis published by Ioaniddis (popularized as Stanford University global list
Since 2015 the IQCC is organizing a Science Slam. On Tuesday October 1st the IQCC
Last 20th April took place the 30 years IQC(C) celebration. This wonderful moment