Collaboration

Collaborations with institutions abroad:

• Prof. G. Beran, University of California, Riverside, USA 

- development of fragment-based ab initio models for molecular crystals

• Prof. A. Pádua, École Normale Supériore de Lyon, France

- benchmarking of polarizable force fields for molecular materials

• Prof. M. Costa Gomes, École Normale Supériore de Lyon, France

- molecular simulations of porous ionic liquids

• Prof. I. Rietveld, Normandie Université Rouen, France 

- network for benchmarking predictions of sublimation data

• Prof. J. Vrabec, Technische Universität Berlin, Germany

     - predicting the thermodynamics of complex systems using COSMO-SAC model  

Collaborations with Czech institutions:

• Dr. J. Brus, Institute of Macromolecular Chemistry of the Czech Academy of Sciences (CAS)

- NMR crystallography

• Prof. K. Růžička, Prof. M. Fulem, University of Chemistry and Technology, Prague

- calorimetry and vapor pressure measurements

• Dr. J. Rohlíček, Institute of Physics of the CAS 

- X-ray diffraction

• Prof. I. Nezbeda, Institute of Chemical Process Fundamentals of the CAS & J. E. Purkyně University, Ústí nad Labem

    - thermodynamic properties of water from SAFT-type equations of state

• Dr. P. Večerník, ÚJV Řež, a.s. (Nuclear Research Institute)

    - thermodynamic and geochemical modeling

Collaborations with Industry:

• Zentiva, cocrystal screening and crystal structure prediction for pharmaceutical ingredients

• Synthon, cocrystal screening and crystal structure prediction for pharmaceutical ingredients