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QBtopIC Series (No replies)

3 months ago
marcelswart 3 months ago

QBtopIC Series

The QBtopIC series is a new activity of the QBIC Society. In these panel meetings, a discussion leader speaks with a number of invited experts on a topic that is of interest to the wider QBIC community and takes questions from the audience. In total the QBtopIC discussions should take 60-90 minutes. Each meeting starts with a general introduction of the topic by the discussion leader (ca. 10 minutes), followed by short statements (ca. 5 minutes) by the invited experts to highlight specific aspects. The remainder of the meeting is intended as a general discussion between the panel members with questions from the audience. The QBIC Society plans to organise QBtopIC meetings on a monthly basis. If you have a topic in mind or an expert you would like to hear, please contact Vera Krewald via e-mail.

For the first QBtopIC event on February 24th from 4:30 pm CET, Marcel Swart has invited Milica Feldt and Mariusz Radoń for a discussion on spin states. You can put forward your questions or comments in the following ways: – before the session as an e-mail to the discussion leader – during the session through Twitter with the hashtag #QBtopIC #question – during the session through the Zoom chat function.
Register now through: http://bit.ly/QBtopIC1

Winners of the 2020 and 2021 Awards of the Society

We are delighted to announce the winners of the QBIC Society Awards for the years 2020 and 2021.

2020 QBIC Society Award - Martin Srnec
The winner of the 2020 award is Dr. Martin Srnec (J. Heyrovský Institute of Physical Chemistry). The award recognizes the outstanding contributions of Dr. Srnec to the theoretical treatment of chemical reactivity, specifically the development of the concept of (a)synchronicity of electron and proton transfer and its application to hydrogen-abstraction reactions, as well as the theoretical description of kinetic energy distribution within reactive modes in relation to reaction selectivity.

2021 QBIC Society Award - Ragnar Bjornsson
The winner of the 2021 award is Dr. Ragnar Björnsson (Max Planck Institute for Chemical Energy Conversion). The award recognizes the outstanding contributions of Dr. Björnsson to the understanding of biological nitrogen reduction, in particular his quantum chemical investigations on the electronic structure and properties of the iron–molybdenum cofactor (FeMoco) of Nitrogenase, its vanadium analogue, as well as on the nature of intermediate forms adopted by the cofactor along the catalytic cycle of biological nitrogen reduction.

The award winners will present their research in award lectures at a forthcoming meeting of the QBIC Society.

The QBIC Society

The Quantum Bio·Inorganic Chemistry Society was founded in 2018 with the purpose of bringing together scientists from academia and industry who are working in the broad fields of theoretical and computational inorganic, bioinorganic, and biological chemistry. Our aim is to encourage, support, and promote all aspects of research and knowledge exchange in these areas of science. Among the activities of the QBIC Society are the organization of regular international scientific meetings, the support of summer/winter schools targeted at young scientists, and the coordination of networking actions. The QBIC Society plays a key role in connecting the international community of computational chemists that are active in method development or applications within the scope of inorganic and bioinorganic chemistry.

Application for membership is open to any individual from all over the world: http://qbicsoc.org/membership.html

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Ab initio (from electronic structure) calculation of complex processes in materials