COSMOlogic, computational chemistry and fluid phase thermodynamics from chemical engineering to life science

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COSMO-RS is a rather 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, pK_a 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 Chemistry

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 2013 (7. - 11.10.), University of Regensburg +++ Please sign in for Regensburg lecture +++

Next COSMOtherm training
June 2013, 11th
at COSMOlogic

April 2013

We are glad to announce that our new hydrogen bond paper is now available online at PCCP:
Interpretation of experimental hydrogen-bond enthalpies and entropies from COSMO polarisation charge densities
Andreas Klamt, Jens Reinisch, Frank Eckert, Jérôme Graton and Jean-Yves Le Questel

January 2013

COSMOlogic moved to new location "Imbacher Weg"

December 2012

COSMOtherm Version C3.0 Revision 13.01 released Release Notes

October 2012

A study comparing solubility prediction of the novel COSMOquick versus NRTL-SAC has been published in Industrial & Engineering Chemistry Research.

Potsdam, 07.10.2012: Prof. Dr. Andreas Klamt receives the 2012 EFCE Distinguished Lecture Award in Thermodynamics and Transport Properties

September 2012

See the interview with our CEO A. Klamt in ChemistryViews.

August 2012

Publication about Cocrystal Screening with COSMO-RS has been launched in collaboration with Yuriy Abramov from Pfizer.

July 2012

We are proud that our publications on the COSMOsim3D and COSMOsar3D methods have just appeared online.
They present a really novel approach to 3D-QSAR based on local σ-profiles.

COSMOquick released.
Carries out cocrystal and solubility screenings.
Release Notes

May 2012

Publication on SAMPL3 data. COSMOtherm predicts free energy of hydration with high accuracy.
TURBOMOLE 6.4 released download free demo

TmoleX 3.3 Client
download for free

February 2012

Andreas Klamt receives professorship in "Physical Chemistry"

January 2012

Prof. Paolo Tosco (University of Turin) spends a 6-month sabbatical at COSMOlogic for a collaboration on the development of 3D-QSAR methods based on COSMO sigma surfaces.

December 2011

Publication on hydrogen bond energy prediction by using sigma.

September 2011

Publication on the prediction of polyether-water mixtures

July 2011

COSMOfrag Version 3.3, see Release Notes

June 2011

New COSMO and COSMO-RS review has appeared

May 2011

New cooperation with Prof. Steven Abbott, TCNF