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Computational Photochemistry Lab
Our Team
Prof. Daniel Escudero
Principal Investigator
Prof. Escudero is currently Assistant BOFZAP Professor in the Department of Chemistry, at the KU Leuven. His current research interests lay at the interface between computational/theoretical chemistry and photochemistry and present a specific focus on the applications in molecular optoelectronics. Born in 1984 in Palma de Mallorca, he graduated in Chemistry at the Universitat de les Illes Balears, Spain, and obtained his PhD with honors in Chemistry at the Friedrich-Schiller-Universität Jena, Germany, in 2011. Following his PhD, he spent three years (2011-2014) at the Max-Planck Institut für Kohlenforschung, Germany and four years (2014-2018) at the Université de Nantes as a postdoctoral researcher. He was appointed tenure-track Assistant Professor at the KU Leuven (Belgium) in 2018. Among his recognitions, he was awarded the Green Photonics STIFT prize for his PhD work by the Fraunhofer Innovationscluster and he was the holder of a Marie Sklodowska-Curie action (CompOLEDs, H2020-MSCA-IF-2015 call). He is author of more than 65 publications, he has delivered over 15 invited lectures all over the world and serves as a reviewer for numerous international journals. He serves in the editorial board of Dyes and Pigments and Molecules.
Hung Tan Pham
PostDoc Researcher
Hung Tan Pham obtained Doctorate in 2022 at Department of Chemistry, KULeuven. His research interests include using quantum chemistry to understand chemical phenomenon at atomic scale, and accelerating material discovery by machine learning. Currently, he devotes to elucidate the luminescence of silver nanoclusters stabilzied by scaffolds.
Mariana Telles do Casal
PostDoc Researcher
Mariana T. do Casal obtained her Doctorate in 2022 at the Aix-Marseille Université. Her research interests include using computational chemistry to understand the photophysical processes molecules undergo after photoexcitation, with a focus on doubly excited states and mixed quantum-classical nonadiabatic dynamics. Currently, she is working with excited-state rate theory.
Pham Thanh Chung
PostDoc Researcher
P. T. Chung completed his doctoral degree in 2021. His research focused on the creation and analysis of high-efficiency chromophores with applications in sensing, phototherapy, and OLED. Presently, his primary interest involves investigating photophysical properties and excited state models using a combination of theoretical and experimental approaches.
Maxime Hodée
PostDoc Researcher
Maxime obtained his PhD in 2023 at the University of Rennes, France. His research consists in the study of the excited state of photoactive molecular systems, considering the UV-vis absorption, prompt and delayed fluorescence, non-radiative de-excitation pathways, and all excited state processes. He also uses several theoretical tools, ranging from TD-DFT to Coupled Cluster methods, as well as approximated tight-binding methodologies such as DFTB. His current research consists in the study of the photophysical properties of polymer systems.
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Laura Galleni
Doctoral Researcher
Laura Galleni is a PhD student at the Department of Chemistry of KU Leuven in collaboration with the Interuniversity Microelectronics Centre (Imec). She obtained her M.Sc. in Physics from the University of Milan, Italy. Her research focuses on simulating photoresists for extreme UV photolithography.
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Arne Meulemans
Doctoral Researcher
Arne Meulemans has a FWO PhD Fellowship for Fundamental Research, 11PQU24N, and does his work at the department of Chemistry of KU Leuven, where he also obtained his M.Sc. in chemistry at KU Leuven. His master thesis was a computational study of solid phase anti-Kasha photoluminescence. His current research focuses on thermoelectric properties of conjugated polymers.
Yixuan Li
Doctoral Researcher
Yixuan Li is a PhD student at the department of Chemistry at KU Leuven. She did her M.Sc. in Functional Materials at the University of Marburg, Germany. Currently, her research aims at developing density-based descriptors for the prediction of radiative and non-radiative photochemical processes.
Steven He
Doctoral Researcher
He is a PhD student in the Department of Chemistry of KU Leuven. His research is mainly about “Photochemistry in complex environments”. His favorite motto is “Wir müssen wissen, wir werden wissen” from David Hilbert.
Santiago Agudelo Gómez
Master Project Student
Santiago Agudelo Gómez is a master student of the Erasmus Mundus in Theoretical Chemistry and Computational Chemistry at KU Leuven. He obtained a B.Sc. in Chemistry at the University of Antioquia, Colombia. His research focuses on exploring the fragmentation mechanisms of polymers.
Isabel Eder
Master Project Student
Isabel Eder is a Master Erasmus exchange student from the University of Vienna, where she also obtained her Bachelor degree in Chemistry. Her Master thesis project focuses on the formation of excimers of square-planar platinum(II) complexes.
Filippo Brunetti
Master Project Student
Filippo Brunetti obtained is B.Sc. in Chemistry at the university of Bologna, Italy. He's currently working on modeling the absorption spectra's broadening in molecular crystals.
Jingyi Liu
Master Project Student
Jingyi Liu is a master student of the Erasmus Mundus in Theoretical Chemistry and Computational Chemistry (TCCM) at KU Leuven. Currently, she is doing her master thesis entitled: QM/MM calculations on the photochemistry of LSSmOrange Fluorescence Protein.
Victor Oluwapemi Adebayo
Master Project Student
A Master Student of the Eramus Mundus in TCCM at the Paul Sabatier University, Toulouse, France. He obtained his BSc and MSc in Chemistry at the University of Ibadan, Nigeria.
His research focus on "First-Principles calculations of excited state decay rate constants in BN-Armatic molecules.
Youssef Badawy
Master Project Student
He is pursuing a master's degree in the Erasmus Mundus TCCM program at Trieste University. His area of research is focused on studying the short-range charge transfer character of MR-TADF emitters and how it relates to their photophysical properties through excited-states rate theory.
Previous Members
Koen Veys
Doctoral Researcher
Prashant Kumar
Doctoral Researcher
Hannah Sinikka Charlotte B Tideland
Master Project Student
Vladimir Manuylov
Master Project Student
Bruno Von Brüning
Master Project Student
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Bao-Ngan Nguyen-Ha
Visiting Scholor
Pauline M. Vérité
PostDoc researcher
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Davita van Raamsdonk
Master Project Student
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Manuel Pérez Escribano
Master Project Student
Marzioguiseppe Gentile
Master Project Student
Camille Lequeux
Master Project Student
Milena Röhrs
Master Project Student
Chattarika Sukpattanacharoen
Visiting Scholar
Lorenzo Arnal Vallès
Visiting Scholar
Daniel Vidal
Master Project Student
Paulino Duel du Juan
Visiting Scholar
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