Brigitta Bachmair is currently employed as a university assistant at the University of Vienna, Austria. She is working towards enabling a more feasible simulation of nonadiabatic dynamics in cases of rare photoreactions with the help of trajectory sampling methods and machine learning in the context of the Vienna Research Platform on Accelerating Photoreaction Discovery (ViRAPID). Prior to studying for her doctorate she obtained her master's degree in Chemistry as well as her bachelor's degree in Chemistry and Biochemistry from the Ludwig-Maximilians-Universität München.
Annika Bande is a theoretical chemist graduated RWTH Aachen University (Germany). After postdoctoral stays at CU Boulder (US), the Quantum Chemistry Research Institute (Kyoto, JP), and Heidelberg University, she became group leader at the Helmholtz-Zentrum Berlin holding a Freigeist fellowship. Furthermore, she is lecturer at Freie Universität Berlin, where she obtained her habilitation. Dr Bande's major research interest is the location, excitation, and motion of electrons within molecules and nanostructures. She has established a broad method portfolio spanning from Quantum Monte Carlo over “conventional” electronic structure and dynamics methods to machine learning and quantum computing simulations.
Thibaud Etienne was born in Belgium in 1988. He obtained a joint PhD between Belgium (University of Namur) and France (University of Lorraine) in theoretical chemistry in 2015. He then worked as a postdoctoral researcher at the Istituto CNR di Scienze e Tecnologie Molecolari in Perugia for one year before joining the Theoretical Chemistry, Methodologies, Modelling group at the University of Montpellier as an associate professor in 2016. He finally moved to the Laboratory of Theoretical Physics and Chemistry at the University of Lorraine in 2021. His research interests lie in the area of molecular quantum mechanics, more particularly in molecular electronic-structure theory.
Anthony Ferté received his Ph.D. in Theoretical Chemistry from Sorbonne Université in 2021. He performed his doctorate on the theoretical investigation of emergent double core hole spectroscopies at the LCPMR supervised by Stéphane Carniato and Richard Taïeb. He was awarded the 2022 Gaston Berthier Ph.D. award by the Réseau Français de Chimie Théorique. Currently working as a post-doctoral researcher in the group of Morgane Vacher (CEISAM, Nantes Université) on the description and simulation of coupled electrons/nuclei dynamic for attochemistry. His main interests are the methodological aspects of electronic structure theory and its application to exotic processes.
Erik D. Hedegård (EDH) is associate professor for Inorganic Computational Chemistry, University of Southern Denmark (SDU), Odense, Denmark. EDH got his PhD degree in the group of Jacob Kongsted, University of Southern Denmark on Polarizable Embedding Methods in 2014. Thereafter, EDH was a post-doc at ETH Zürich, Switzerland (2014–2016) and then at Lund University, Sweden (2016-2018). In these years, he worked with density matrix renormalization group methods as well as QM/MM for metalloenzymes before starting a group in 2018 at Lund University. The move to SDU occurred in 2020, where EDH accepted the position as associate professor.
Marina Jansen received her B.Sc. and M.Sc. in Chemistry at Westfälische Wilhelms-Universität Münster. During her master studies she visited the group of Lars Goerigk at the University of Melbourne performing theoretical studies with modern DFT methods. Starting at the Christian-Albrechts-Universität zu Kiel and continuing at the Leibniz Universität Hannover, she is currently pursuing a Ph.D. under the supervision of Carolin König. Her research mainly focuses on density-based embedding schemes for amyloid biomarkers in a complex environment.
Carolin König (CK) is tenure-track associate professor for Computational Chemistry as well as Emmy-Noether Young Group Leader at Leibniz University Hannover, Germany. CK got her PhD degree in the group of Johannes Neugebauer at the University of Münster, Germany on Subsystem-Based Quantum Chemistry for Photosynthetic Light Harvesting in 2013. Thereafter, CK spent her post doc years at Aarhus University, Denmark (2014-2016) and the Royal Institute of Technology Stockholm, Sweden (2016-2018), where she worked among others on the theoretical description of fluorescent biomarkers for Alzheimer's disease. From 2018 to 2020 CK held a junior professorship for Theoretical Chemistry at Christian-Albrecht University of Kiel, Germany.
Philipp Marquetand studied chemistry at the Universities of Heidelberg and Würzburg, where he also obtained his PhD. After postdoctoral stays at ENS Paris and the University of Jena, he moved to Vienna, where he is now a senior scientist at the Institute of Theoretical Chemistry, University of Vienna. He is also a principal investigator at the research platform ViRAPID (Vienna Research Platform on Accelerating Photoreaction Discovery) and a member of the research network Data Science @UniVienna. He works on machine learning for computational chemistry with a focus on nonadiabatic dynamics, quantum Monte-Carlo simulations and excited-state rare-event sampling.
Nghia Nguyen Thi Minh graduated in Pharmaceutical Sciences from the Universidad Central “Marta Abreu” de Las Villas, Cuba, in 2015. She received her Master's degree in Theoretical Chemistry and Computational Modelling from the University of Valladolid, Spain, in 2019. Currently, she is pursuing a Ph.D. degree at Leibniz University Hannover, Germany under the supervision of Carolin König. Her research interests include the multi-scale methods for vibrational and optical spectroscopy of pathological biomarkers.
Maren Podewitz is an Assistant Professor for Theoretical Chemistry at the Institute of Materials Chemistry at TU Wien, Austria since 2021. Her research interests are the chemistry of transition-metal catalysts with a focus on olefin metathesis. Her group develops tailored multiscale protocols using quantum chemistry and classical molecular dynamics towards predictive catalysis.
Madlen Maria Reiner studied physics at the University of Vienna, Austria, where she received her degree in 2020. Since then, she has been doing her PhD at the research platform ViRAPID (Vienna Research Platform on Accelerating Photoreaction Discovery), supervised by Prof. Christoph Dellago and Prof. Leticia González at the University of Vienna. Her main research interests are rare event sampling for nonadiabatic systems and corresponding method development, where she also focuses on machine learning solutions.
Maximilian Xaver Tiefenbacher is a PhD student at the research platform ViRAPID (Vienna Research Platform on Accelerating Photoreaction Discovery) at the University of Vienna and participates also in the Doctoral program MolTag. He did his BSc in Chemistry and MSc in Theoretical Chemistry at the University of Vienna. His research focus is on the development of neural network potentials for excited-state dynamics. He is also working within ViRAPID on new ways to accelerate the simulation of reactions in excited electronic states via rare-event sampling.
Morgane Vacher received her PhD degree in theoretical chemistry in 2016 from Imperial College London (UK). She worked then as a postdoctoral researcher at Uppsala University (Sweden). Late 2019, she was appointed as a CNRS researcher within the CEISAM laboratory in Nantes (France). Her research interests include theoretical photochemistry, non-adiabatic dynamics of molecular excited states and attochemistry. In 2020 she was awarded with the Etoile Montante research grant from the Region Pays de la Loire. In 2021, she was a member of the Early Career Advisory Board of JACS Au and she was awarded an ERC Starting Grant.
