We warmly congratulate Oldamur Hollóczki (former postdoctoral fellow of the Kirchner group) to a promotion to a full professor of the University Debrecen in Hungary.
How good is the networking between science and industry? An interview with Prof. Andreas Gansäuer and Prof. Barbara Kirchner is puplished in ChemCologne Compact.
We warmly congratulate Dr. Michael von Domaros2 (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 simulation3 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.com4
Prof. Barbara Kirchner is chosen as editor of Chemical Physics.5
"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.com6
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 7
The article "Strong Microheterogeneity in Novel Deep Eutectic Solvents8" 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 Bonn9
Acceptance Speech (mp4 file, 120 MB)10
Stairway to Sustainability - Research on recycling of industrial waste11: A new video from the The European Training Network SOCRATES12, in which Prof. Barbara Kirchner and Dr. Oldamur Hollóczki are involved, is online.
The article Strong Microheterogeneity in Novel Deep Eutectic Solvents13 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 ChemPhysChem14.
Prof. Barbara Kirchner has been honored with the Lynden-Bell Award 201915. 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 Implementation16 by Johannes Ingenmey, Jan Blasius, Gwydyon Marchelli, Alexander Riegel and Prof. Barbara Kirchner has been selected as open acces ACS Editors' Choice17 article.
The article How to Harvest Grotthuss Diffusion in Protic Ionic Liquid Electrolyte Systems18) by Johannes Ingenmey, Sascha Gehrke and Prof. Barbara Kirchner has been selected as inside front cover of Issue 12/2018 of ChemSusChem.19
The article "How to Harvest Grotthuss Diffusion in Protic Ionic Liquid Electrolyte Systems18" by Johannes Ingenmey, Sascha Gehrke, and Prof. Barbara Kirchner has been chosen as Very Important Paper of ChemSusChem20.
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".
A recent publication by Eva Perlt, Michael von Domaros, and Barbara Kirchner is being highlighted in various media.
More informations ...24
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-w25) is is online and open access.
Dr. Martin Thomas, a former PHD student of Prof. Barbara Kirchner, was honored with the excellence award of the VAA Stiftung.
Zero time to Waste27: A video of the ETN-SOCRATES (Zero Waste)28 in which Prof. Dr. Barbara Kirchner and Dr. Oldamur Hollóczki participate as supervisor is online.
TRAVIS29 is included as a commandline tool in the ADF Modeling Suite30.
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 Chemistry31.
Prof. Barbara Kirchner has been appointed to the Editorial Advisory Board of The Journal of Chemical Physics32.
An article 33 by Prof. Barbara Kirchner has been selected as inside front cover34 of Issue 21/2016 of ChemPhysChem.
An article 35 by Henry Weber and Prof. Barbara Kirchner has been chosen as Very Important Paper36 of ChemSusChem.
Thomson Reuters (Web of Science) identified an article 37 by Prof. Barbara Kirchner and Dr. Oldamur Hollóczki as highly cited paper.
An article 38 by Dzmitry Firaha and Prof. Barbara Kirchner has been selected as inside front cover39 of Issue 13/2016 of ChemSusChem.
An article about carbon dioxide absorption in ionic liquids 38 from Dzmitry Firaha and Prof. Barbara Kirchner has been highlighted on Angewandte Chemie40.
A Horizon 2020 41proposal (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 Chemistry42.
Dr. Eva Perlt, a Postdoc in the group of Prof. Barbara Kirchner, has been awarded a Sigrid Peyerimhoff prize for young scientist43 from the Collaborative Research Center 813 (Chemistry at Spin Centers).
An article about the design of ionic liquids as CO2 absorbents44 from the group of Prof. Barbara Kirchner has been highlighted on Nachrichten aus der Chemie45.
Dr. Oldamur Hollóczki from group of Prof. Barbara Kirchner published an article46 which has been selected as back cover 47 of issue 1, 2016 of Physical Chemistry Chemical Physics.
A paper44 of the group of Prof. Barbara Kirchner has been selected as a hot paper of Angewandte Chemie48.
Barbara Kirchner has edited together with Frank Neese a special issue on theoretical chemistry 49 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 Meeting50.
A paper51 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 Data52.
The CPMD-Meeting 201353 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/jp103470e54) is one of the top most read articles in 2012 from The Journal of Physical Chemistry A55.