News
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22-03-2023
New preprint by Sonata
New preprint on ChemRxiv by Sonata that presents "Polarizable Embedding with Periodic Boundary Conditions". -
28-02-2023
New preprint by David
New preprint on ChemRxiv by David that presents "Polarizable Embedding Potentials through Molecular Fractionation with Conjugate Caps Including Hydrogen Bonds". -
22-02-2023
New article in J. Chem. Inf. Model.
New article in the Journal of Chemical Information and Modeling that presents "MiMiCPy: An Efficient Toolkit for MiMiC-Based QM/MM Simulations". It is the most recent result from a long-term collaboration with the groups of Paolo Carloni and Ursula Röthlisberger. -
16-02-2023
New article in Energy Environ. Sci.
New article in Energy & Environmental Science that investigates the "Impact of donor halogenation on reorganization energies and voltage losses in bulk-heterojunction solar cells" using both experimental and theoretical methods, where we have contributed to the theoretical part. -
01-02-2023
Group leader promoted to Associate Professor
Magnus was promoted to Associate Professor. -
23-01-2023 - 27-01-2023
Visit by Andrej Antalik from EPFL
Andrej Antalik, a postdoc from LCBC at EPFL, visited us to work on a collaborative project. -
24-01-2023
New article in Biophys. Physicobiol.
New article in Biophysics and Physicobiology where we have investigated "Induction effects on the absorption maxima of photoreceptor proteins" in a collaborative project with Igor Schapiro Research Group.
Graphical table of content -
16-01-2023 - 17-01-2023
Visit by Magnus Ringholm from the Hylleraas Centre at UiT
The TCBC group welcomed Magnus Ringholm who visited us for a couple of days, and had a great pizza party at the end!
Jonas, Sonata, Magnus, Magnus Ringholm, and David enjoying dessert -
21-12-2022
Sonata gave a presentation in Universidad Autónoma de Madrid, Spain
PhD student Sonata Kvedaravičiūtė gave a presentation in Universidad Autónoma de Madrid (UAM), where she presented her PhD project progress. The visit was hosted by Javier Cerezo.
Sonata presenting her work at UAM -
14-12-2022
Joint team building event with the Eriksen Lab
The TCBC group and the Eriksen Lab met for a joint team building event in downtown Copenhagen. Afterwards we went to a boardgame café.
Group photo of the TCBC group and Eriksen Lab at the boardgame café -
21-11-2022
TCBC hackathon
The TCBC group held a hackathon to create this website for our group. -
07-11-2022 - 11-11-2022
Research visit to the Hylleraas Centre at UiT in Tromsø
Magnus and Jonas visited the Hylleraas Centre at UiT to work on a collaborative project with Magnus Ringholm and Vanda Le.
Jonas, Magnus Ringholm, Magnus, and Vanda Le at UiT. -
03-11-2022 - 04-11-2022
PhD Symposium
Sonata and Jonas attended the annual PhD Symposium at DTU Chemistry where they presented a poster. -
18-07-2022 - 22-07-2022
CECAM Flagship School "Multiscale Molecular Dynamics with MiMiC"
The first edition of the CECAM Flagship School "Multiscale Molecular Dynamics with MiMiC" organized by Magnus together with Simone Meloni and Ursula Röthlisberger took place at the CECAM Headquarters at EPFL in Lausanne, Switzerland. Sonata and David were part of the tutoring team and also presented their research at the poster event.
Group photo of all participants 
Poster prize winners and organizers -
03-07-2022 - 08-07-2022
TCBC at WATOC 2020
The TCBC group went to the 12th Triennial Congress of the World Association of Theoretical and Computational Chemists (WATOC 2020) in Vancouver, Canada, which was delayed to 2022 due to COVID-19. Sonata and Jonas presented a poster. David also brought a poster and Magnus was scheduled to give a talk, but both were cancelled due to illness.
Sonata presenting her poster at WATOC 2020 
David at a poster session at WATOC 2020 
Jonas presenting his poster at WATOC 2020 
Magnus enjoying the lunchbreak at WATOC 2020 -
25-03-2022
Boardgame evening
The group went to a boardgame café in downtown Copenhagen for an evening of boardgames.
David, Sonata, Jonas, and Magnus playing boardgames -
01-11-2021
Welcome to David Carrasco de Busturia
David Carrasco de Busturia joins the group as a postdoc. -
01-03-2021
TCBC group is established at DTU Chemistry
The theoretical and computational biophysical chemistry (TCBC) group is established at DTU Chemistry.
