News
Paper alert
Bin's latest research has just been published in Inorganic Chemistry. Check out the paper titled "Mechanistic study and conceptual chemical reactivity analysis of hydroboration of carbon dioxide catalyzed by a manganese(I)-PNP-pincer complex" to learn more.Paper alert
Eline's work on hexaphyrins just got published in PCCP! Read her paper titled: "Designing hexaphyrins for high-potential NLO switches: The synergy of core-modifications and meso-substitutions" here.
Cover Art
Chemistry – A European Journal selected Irene's article for the cover feature of issue 6! Don't forget to check out the article here.Cover Art
Ruben's cover art is displayed on the first issue of Organic Letters for 2022! Be sure to give the article a read here.Paper alert
Eline's research just got published! Read her paper titled: "Fine-Tuning of Nonlinear Optical Contrasts of Hexaphyrin-Based Molecular Switches Using Inverse Design".New team members!
Join us in welcoming our newest colleagues Mireille, Geetu, José, Bin, Jochen, Charlotte and Lise to the ALGC group! Find out more about them by reading their biography in the Team section.Twitter
We are now also active on Twitter. Be sure to give us a follow if you want to be up-to-date with our research hot off the press. @ALGC_VUB
Events
- Practical info-
DFT 2022
The 19th International Conference on Density Functional Theory and its Applications will be held in Brussels this year. For detailed information you can visit https://www.dft2022.be/. Hope to see you all there!
- Practical info-
Research Seminar
Prof. Dr. Christel Gervais from Sorbonne Université (France) will present a research seminar titled: "Probing local environments in materials by combining NMR and DFT calculations".
- Practical info-
Research Seminar
Prof. Dr. Fernanda Duarte from the University of Oxford (UK) will present a research seminar titled: "Exploring reaction mechanisms through automation and machine learning".
- Practical info-
Research Seminar
Prof. Dr. Frédéric Guégan from Université de Poitiers (France) will present a research seminar titled: "Theoretical aspects of reactivity and selectivity: chosen examples from molecular chemistry"
- Practical info-
Research Seminar
Prof. Dr. Scott Habershon from the University of Warwick (UK) will present a research seminar titled: "Reaction mechanism discovery using random walks in chemical space"
- Practical info-
Research Seminar
Dr. Daria Galimberti from the Radboud University Nijmegen (The Netherlands) will present a research seminar titled: "DFT-MD simulations and Vibrational Spectroscopy: what we can learn"
- Practical info-
Research Seminar
Prof. Dr. Monica Calatayud from Sorbonne Université (France) will present a research seminar titled: "Modelling H2 interaction with metal oxides: computational approaches for surface reactivity"
- Practical info-
Research Seminar
Prof. Dr. Christophe Morell from the Université de Lyon (France) will present a research seminar titled: "How can excited states help understand the chemical reactivity and selectivity?"
- Practical info-
Research Seminar
Prof. Dr. Katarzyna Pernal from the Lodz University of Technology (Poland) will present a research seminar titled: "On-top pair density dynamic correlation energy functional for ground and excited states"
- Practical info-
Research Seminar
Prof. Dr. Jérôme Loreau from KU Leuven (Belgium) will present a research seminar titled: "Statistical approaches to ion-molecule reactions"
- Practical info-
Research Seminar
Prof. Dr. Remco Havenith from the Rijksuniversiteit Groningen (The Netherlands) will present a research seminar titled: "A view on chemical bonding"
- Practical info-
Research Seminar
Prof. Dr. Trevor Hamlin from the Vrije Universiteit Amsterdam (The Netherlands) will present a research seminar titled: "Understanding Chemical Reactivity Using the Activation Strain Model"
- Practical info-
Research Seminar
Prof. Dr. Arne Lüchow from RWTH Aachen University (Germany) will present a research seminar titled: "Insight into chemical bonding from topological analysis of the many-electron quantum probability density"
- Practical info-
Research Seminar
Dr. Kristof Bal from the University of Antwerp (Belgium) will present a research seminar titled: "Using enhanced sampling methods to calculate free energy barriers: A generic approach to kinetics?"
- Practical info-
Research Seminar
Prof. Dr. Yoann Olivier from the University of Namur (Belgium) will present a research seminar titled: " Thermally Activated Delayed Fluorescence (TADF): A new paradigm for OLEDS?"
- Practical info-
Research Seminar
Prof. Dr. Daniel Escudero from the University of Leuven (Belgium) will present a research seminar titled: "Quantitative determinations of photochemistry from first principles"
- Practical info-
Research Seminar
Prof. Dr. David N. Beratan from the Departments of Chemistry, Biochemistry and Physics at Duke University (USA) will present a research seminar titled: "Mechanisms of Electron Brokering and Redox Signalling in Biology"