COSMO-RS Symposium 2018 Presentations

Kai Leonhardt / RWTH Aachen University / Germany (download PDF)
Design of solvents and processes with COSMO-RS


Jasper van Baten / AmsterCHEM / Spain (download PDF)
Extension of COSMO-RS to a CAPE-OPEN compliant thermodynamic system


Simone Tomasi / Astra Zeneca UK Ltd. / United Kingdom (download PDF)
Using COSMOtherm. A Pharmaceutical Industry Perspective


Piotr Cysewski / Nicolaus Copernicus University Torun / Poland (download PDF)
Pharmaceutical cocrystals screening for enhanced solubility advantage


Franziska Bezold / Technical University Munich / German  (download PDF)
Assessing solute partitioning in deep eutectic solvent-based biphasic systems using COSMO-RS


Theo Kurtén / University Helsinki / Finland (download PDF)
Using COSMOtherm to evaluate properties of atmospheric autoxidation products


Mark Parnis / Trent University / Canada (download PDF)
Modelling environmental passive samplers with COSMO-RS theory


Théophile Gaudin / France (download PDF)
Identifying surfactants and solubilizers based on COSMO calculations


Mark Maupin / Procter & Gamble Business Services Company (download available for participants only)
Partitioning of Isothiazolone Biocides into Bacterial Membranes: Insights into Mode of Action and Efficacy


Oliver Koch / Linde AG / Germany (download available for participants only)
7 Years Experiences with COSMOtherm at Linde Engineering: Successes & Demands


Steffen Linke / Max-Planck-Institut Magdeburg / Germany (download available for participants only)
Green solvent screening for thermomorphic multicomponent systems exemplifed for hydroformylation of long-chain olefins


Andreas Klamt / COSMOlogic / Germany (download available for participants only)
COSMOplex: COSMO-RS for the prediction of self-organizing systems


Yuriy Abramov / Pfizer Inc. / USA (download available for participants only)
COSMO-RS Applications in Computational Pharmaceutical Solid State Chemistry


Jeffrey Tan / Eli Lilly and Company / USA (download available for participants only)
Applications of Automated In Silico Solvent Screening in Pharmaceutical Development


Chenyue Zhang / Technical University Eindhoven / Netherlands (download available for participants only)
Process Design towards a Bio-Chemocascade in ONE-FLOW: Spaciant Solvent Factory


Jose Palomar / University Autonoma Madrid / Spain
COSMO-RS application to chemical product design: the case of CO2 capture by ionic liquids


Daniel Moreno / University Autonoma Madrid / Spain
On the predictability of COSMO-RS for ionic liquid systems


Costas Panayiotou / University Thessaloniki / Greece
COSMO-RS and LSER/PSP in the Conservation of Cultural Heritage


Irina Smirnova / Technical University Hamburg-Harburg / Germany
COSMO-RS for modelling of phase equilibria in multicomponent systems containing surfactants and/or electrolytes


Jean-Marie Aubry / University of Lille 1 / France
3D COSMO-mapping of organic solvents Should we replace the rule “like dissolves like” for “opposites attract”?


Michelle Coote / Australia National University / Australia    
Practical Applications of COSMO-RS: pKa values, redox potentials and more


Rainer Wilcken / Novartis Pharma AG / Switzerland
The ReSCoSS workflow: Using COSMO-RS in drug design and solid form selection


Simon Müller / Technical University Hamburg-Harburg / Germany
Calculation of Solid-Liquid-Equilibria of Salts in Mixtures of Solvents with a new COSMO-RS based Model


Rebecca Sure / BASF SE / Germany
When COSMO-RS is not enough: The importance of microsolvation for investigating critical reaction mechanisms in solution


Mohsen Taheri / Beijing University of Chemical Technology / China
Ionic liquid Design for Absorptive Acid Gas Removal Processes: A COSMO-RS-Integrated Methodology