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News - Prof. Dr. Barbara Kirchner

How good is the networking between science and industry? An interview with Prof. Andreas Gansäuer and Prof. Barbara Kirchner is puplished in ChemCologne Compact.  

Link to ChemCologne Compact


We warmly congratulate Dr. Michael von Domaros (former student and awardee of the Geheimrat Dr. ter-Meer-Preis 2019 of the Universitätsgesellschaft Bonn) on being appointed to a tenure track professorship for Theoretical Chemistry at the University of Marburg.


The publication TRAVIS — A free analyzer for trajectories from molecular simulation by M. Brehm, M. Thomas, S. Gehrke, and Prof. B. Kirchner is in the TOP 5 of most read 2020 articles of the Journal of Chemical Physics (4,846 downloads).


Tom Frömbgen from the group of Prof. Barbara Kirchner was awarded for his Bachelor's degree by the German Chemical Society in Bonn.


 "Getting the Best out of Ionic and Molecular Liquid Simulations" - A talk from Prof. Barbara Kirchner on the ATOMS seminar of the Federal University of Rio de Janeiro, Brasil is online.

Link to the talk on youtube.com


Prof. Barbara Kirchner is chosen as editor of Chemical Physics.


"Getting the best out of calculations of solvents" - A talk from Prof. Barbara Kirchner on the PAThlestra seminar, CICECO Aveiro Institute of Materials University of Aveiro, Portugal is online.

Link to the talk on youtube.com


Jan Blasius from the group of Prof. Barbara Kirchner will be honored by the division Computers in Chemistry (CIC) of the German Chemical Society (GDCh) with the 2020 CIC Award for the best master thesis in the field of computational chemistry.

The awards ceremony takes place on the (virtual) 16th German Conference on Cheminformatics (GCC).


Eva Perlt, a former postdoc of the group of Prof. Barbara Kirchner is now in the Turbomole developer team: https://aip.scitation.org/doi/10.1063/5.0004635


The article  "Strong Microheterogeneity in Novel Deep Eutectic Solvents" by Vahideh Alizadeh , David Geller, Friedrich Malberg, Pablo B. Sánchez, Prof. Agilio Padua and Prof. Barbara Kirchner is among the top 10% most downloaded papers from 2018-2019 of ChemPhysChem.


Dr. Michael von Domaros has been honored with the Geheimrat Dr. ter-Meer-Preis 2019 of the Universitätsgesellschaft Bonn for his Ph.D thesis in the group of Prof. Barbara Kirchner.

Press release from the University of Bonn

Acceptance Speech (mp4 file, 120 MB)


Stairway to Sustainability - Research on recycling of industrial waste: A new video from the The European Training Network SOCRATES, in which Prof.  Barbara Kirchner and Dr. Oldamur Hollóczki are involved, is online.


The article Strong Microheterogeneity in Novel Deep Eutectic Solvents by Vahideh Alizadeh, David Geller, Dr. Friedrich Malberg, Dr. Pablo B. Sánchez, Prof. Agilio Padua, and Prof.  Barbara Kirchner has been selected as Cover Feature of Issue 14/2019 of ChemPhysChem.


Prof. Barbara Kirchner has been honored with the Lynden-Bell Award 2019. The price is awarded in "recognition of a working life trajectory in ionic liquids".


The J. Chem. Eng. Data article A Cluster Approach for Activity Coefficients: General Theory and Implementation by Johannes Ingenmey, Jan Blasius, Gwydyon Marchelli, Alexander Riegel and Prof. Barbara Kirchner has been selected as open acces ACS Editors' Choice article. 


The article How to Harvest Grotthuss Diffusion in Protic Ionic Liquid Electrolyte Systems) by Johannes Ingenmey, Sascha Gehrke and Prof. Barbara Kirchner has been selected as inside front cover of Issue 12/2018 of ChemSusChem.


The article "How to Harvest Grotthuss Diffusion in Protic Ionic Liquid Electrolyte Systems" by Johannes Ingenmey, Sascha Gehrke,  and Prof. Barbara Kirchner has been chosen as Very Important Paper of ChemSusChem.


Travis tutorial on a CP2K workshop: On August 27–29, 2018, a CP2K user workshop with the topic "Computational Spectroscopy" will take place at the Paderborn Center for Parallel Computing. There will be an introduction into "Vibrational Spectroscopy with TRAVIS".

Link to the workshop


The group of Prof. Barbara Kirchner is engaged in the "11. Bonner Wissenschaftsnacht" (11th Bonn Science Night).

On Friday, 18.05. from 6 pm to midnight there will be a presentation in the main building of the University Bonn (Säulenhalle) with the topic: Molecular Cinema: visualizing computer chemistry cycles.

More informations ...


A recent publication by Eva Perlt, Michael von Domaros, and Barbara Kirchner is being highlighted in various media.
More informations ...


Predicting the Ionic Product of Water: Dr. Eva Perlt, Michael von Domaros, and Prof. Barbara Kirchner together with chemists from the Universities of Rostock and Wisconsin-Madison (USA) examined the spontaneous dissociation of water into ions for the first time with a computer. Their study sheds light on a reaction without which there would probably be no life. The article in Scientific Reports (DOI: 10.1038/s41598-017-10156-w) is is online and open access.

More informations .... 


Dr. Martin Thomas, a former PHD student of Prof. Barbara Kirchner, was honored with the excellence award of the VAA Stiftung.


Zero time to Waste: A video of the ETN-SOCRATES (Zero Waste) in which Prof. Dr. Barbara Kirchner and Dr. Oldamur Hollóczki participate as supervisor is online.


TRAVIS is included as a commandline tool in the ADF Modeling Suite.


Dr. Friedrich Malberg, a coworker of Prof. Barbara Kirchner, received a teaching award for the course "Mathematics for Chemists I" from the faculty of math and science.


Prof. Barbara Kirchner has accepted an invitation to join the Editorial Board of Topics in Current Chemistry.


 Prof. Barbara Kirchner has been appointed to the Editorial Advisory Board of The Journal of Chemical Physics.


An article by Prof. Barbara Kirchner has been selected as inside front cover of Issue 21/2016 of ChemPhysChem.


An article by Henry Weber and Prof. Barbara Kirchner has been chosen as Very Important Paper of ChemSusChem.


Thomson Reuters (Web of Science) identified an article by Prof. Barbara Kirchner and Dr. Oldamur Hollóczki as highly cited paper.


An article by Dzmitry Firaha and Prof. Barbara Kirchner has been selected as inside front cover of Issue 13/2016 of ChemSusChem.


An article about carbon dioxide absorption in ionic liquids from Dzmitry Firaha and Prof. Barbara Kirchner has been highlighted on Angewandte Chemie.


A Horizon 2020 proposal (within the EU Framework Programme for Research and Innovation) of Prof. Koen Binnemans in which Prof. Dr. Barbara Kirchner and Dr. Oldamur Hollóczki participated has reached the stage of Grant Agreement preparation.


Barbara Kirchner and Barbara Intemann have published a News and Views article in Nature Chemistry.


Dr. Eva Perlt, a Postdoc in the group of Prof. Barbara Kirchner, has been awarded a Sigrid Peyerimhoff prize for young scientist from the Collaborative Research Center 813 (Chemistry at Spin Centers).


An article about the design of ionic liquids as CO2 absorbents from the group of Prof. Barbara Kirchner has been highlighted on Nachrichten aus der Chemie.


Dr. Oldamur Hollóczki from group of Prof. Barbara Kirchner published an article which has been selected as back cover of issue 1, 2016 of Physical Chemistry Chemical Physics.


A paper of the group of Prof. Barbara Kirchner has been selected as a hot paper of Angewandte Chemie.


Barbara Kirchner has edited together with Frank Neese a special issue on theoretical chemistry in Physical Chemistry Chemical Physics which is dedicated to "giving the younger generation of theoretical chemistry a forum".


Dzmitry Firaha from the group of Prof. Barbara Kirchner has been selected as a participant of the 65th Lindau Nobel Laureate Meeting.


A paper of the group of Prof. Barbara Kirchner has been selected for one of the images to be used on the cover of the October 2014 issue of the Journal of Chemical & Engineering Data.


The CPMD-Meeting 2013 in Leipzig has been organized by the group of Prof. Barbara Kirchner.


The article "Estimating the Hydrogen Bond Energy" of Katharina Wendler, Jens Thar, Stefan Zahn,and Barbara Kirchner (DOI: 10.1021/jp103470e) is one of the top most read articles in 2012 from The Journal of Physical Chemistry A.

 

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