The Quantum Chemistry of the Excited State – Universitat de València (QCEXVAL) group is part of the Theoretical Chemistry Unit at the Institute of Molecular Science (ICMOL). The group was founded by Dr. Manuela Merchán and led in the past by Dr. Luis Serrano-Andrés. It is currently coordinated by Dr. Daniel Roca-Sanjuán.
The QCEXVAL group is currently devoted to the use of Quantum Chemistry of the Excited Electronic State to determine chemical mechanisms of relevance in areas such as biology, nanotechnology, medicine and atmospheric chemistry. In the last years the group has published several articles and book chapters in prestigious journals such as Nature Communications, Chemical Reviews, Journal of the American Chemical Society, Chemical Science and Chemistry – A European Journal. The group leader has also received the 2018 Promising Scientist Prize of the Centre de Mécanique Ondulatoire Apliquée (CMOA).
For further information visit the group webpage http://qcexval.uv.es/
The University of Valencia is implementing since 2017 the Human Resources Strategy for Researchers (HRS4R),this seal recognizes the University’s ability to attract talent, create a favourable work conditions, encourage research and enhance the careers of researchers in Europe: https://www.uv.es/uvweb/research-service/en/uv-research/human-resources-strategy-researchers-1286005500771.html
The research line of the QCEXVAL group corresponds to the Computational Photochemistry and Chemiluminescence of Molecular Systems of Interest in Biology, Nanotechnology, Medicine and Atmospheric Chemistry. The researcher will use quantum-chemistry methodologies able to accurately determine the electronic structure of excited electronic states, mainly those based on CASSCF and CASPT2 methods. Such methods shall be efficiently combined with DFT and TDDFT methodologies for a fast screening. For modelling large-size systems, quantum mechanics / molecular mechanics molecular dynamics (QM/MM MD) approaches will also be employed. Photochemical reaction paths will be determined by using Minimum Energy Path computations and semiclassical/quantum dynamics simulations.
The research topics that the researcher will be able to choose are DNA damage by UV light and reactive oxygen/nitrogen species, DNA repair mechanisms, photosensitization in photodynamic therapy for the treatment of cancer, characterization of photochemical processes of interest in solar cells, molecular rotors and luminescent materials, chemical properties of the bioluminescence of firefly luciferin and related processes, excited-states origin of non-resolved pathologies of interest in Molecular Medicine or atmospheric cycle of mercury.
Documents to be submitted by the candidates:
– Curriculum vitae
– Letter of motivation
– Two recommendation letters