One
Two
- News
-
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".
Dr. Oldamur Hollóczki has been honored with an ADUC Prize 2018. The ADUC Prizes are awarded by the Association of German University Professors in Chemistry (ADUC) to outstanding early-career researchers who are establishing an independent research programm.
(Article in Angewandte Chemie)
The Phys. Chem. Chem. Phys. article "A look at the density functional theory zoo with the advanced GMTKN55 database for general main group thermochemistry, kinetics and noncovalent interactions" (DOI: 10.1039/C7CP04913G) by Lars Goerigk, Andreas Hansen, Christoph Bauer, Stephan Ehrlich, Asim Najibi, and Stefan Grimme has been highlighted by the Editors as 2017 PCCP HOT Article.
Coverage of the 50 year celebration of the Theoretical Chemistry in the Generalanzeiger Bonn.
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.
