COSMO-RS is the universal theory to accurately predict a wide range of properties in complex liquid mixtures: (partial) vapor pressures, activities, solubilities of gases, liquids and solids, partition in arbitrary phases, phase behavior VLE/LLE, pKa and many more.
Our software COSMOtherm features state of the art COSMO-RS, an easy to use GUI and batch processing capabilities. In industry COSMOtherm already proved to slim processes and shorten development times in typical applications like solvent or additive selection, formulation and compound design. ... more
Quantum chemical calculations are indispensable for researchers worldwide. The accurate prediction of properties like conformational energies, cluster structures, excited states, transition states and dipoles are used in a broad variety of applications.
TURBOMOLE is our fast and reliable quantum chemistry package, already used to optimize and deliver the best catalysts for chemical reactions, understand and improve organic light emitting diodes (OLEDs) or predict spectra as general aid to compound synthesis and analytical tasks. ... more
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