Our Team
Our steadily growing team of chemists and physicists is supplemented by professional software developers and an administrative assistant. The large portion of scientists ensures the continuous development of our products as well as a highly qualified software support.
- Dr. Andreas Klamt
- theoretical physicist
- 12 years of Computational Chemistry at Bayer AG
finally head of the group - Topics:
- physicochemical properties
- environmental fate
- solvation models
- NMR-shifts
- Neural Networks / Data Mining
- Dr. Frank Eckert
- theoretical chemist
(Ph.D. thesis at Werner group, Stuttgart) - Topics:
- COSMOtherm development and support
- Chemical engineering thermodynamics
- Process Modelling & CAPE-OPEN
- Physicochemical properties
- Molecular modelling and geometry optimization
- Reaction mechanisms & pKa
- Quantum chemistry
- Molecular dynamics (MD) and Monte Carlo (MC) simulations
- theoretical chemist
- Dr. Michael Diedenhofen
- theoretical chemist
(Ph.D. thesis at Frenking group, Marburg) - Topics:
- TURBOMOLE support
- Ionic liquids
- COSMOconf
- application studies
- theoretical chemist
- Dr. Karin Wichmann
- theoretical chemist
(Ph.D. thesis at Frenking/Holthausen, Marburg) - Topics:
- COSMOtherm support
- reaction mechanisms
- life science applications
- theoretical chemist
- Dr. Uwe Huniar
- theoretical physicist
(Ph.D. thesis at Ahlrichs group, Karlsruhe) - Topics:
- TURBOMOLE support
- COSMOmic
- theoretical physicist
- Dr. Arnim Hellweg
- physical chemist
- Topics:
- Turbomole support
- quantum chemistry
- chemical informatics
- Dr. Jens Reinisch
- theoretical chemist
- Topics:
- marketing
- COSMOtherm support
- Claudia Steffen
- application developer/programmer
- Klaus Thomas
- application developer/programmer
- Maike Becker
- administration
- accounting
News/Announcements
Meet COSMOlogic at these conferences next time.
Free Fluid-Phase-Thermodynamics and COSMO-RS Course
October 2010 (04. - 08.10.) University of Regensburg
August 2010
June 2010
TmoleX 3.0 Client
download for free
May 2010
COSMOtherm yielded the most accurate bind predictions of the hydration free energies ...more
COSMOtherm Application by BASF Prediction of absolute rate constants for a polymerization reaction in solution.
March 2010
COSMO-RS Article: "Towards a first principles prediction of pKa: COSMO-RS and the cluster-continuum approach."
COSMOmic released!
February 2010
A Case Study in the Pre-Calculation of Henry Coefficients in Chemical Engineering & Technology
COSMO-RS among the best!
January 2010
A new review of COSMO-RS appeared in the first issue of Annual Reviews of Chemical Biochemical Engineering
COSMOtherm in environmental science: correct pKa prediction of PFOA. (PDF)
November 2009
COSMOlogic announces the release of COSMOtherm Version C2.1 Revision 01.10 Release Notes
June 2009
COSMOfrag Version 3.2, see Release Notes