People

Group leader

Assoc. Prof. Ctirad Červinka

Research fellow

Dr. Martin Klajmon

Graduate students

Ing. Petr Touš  |  Ab initio crystal structure prediction and cocrystal screening for molecular materials

Ing. Veronika Šritterová  |  In silico treatment of moleuclar flexibility in crystal structure prediction

Ing. Jáchym Pavliš  |  Alternative parametrization techniques for SAFT-type equations of state

M.Sc. Reynaldo Geronia  |  Accurate modeling of non-covalent interactions of bulky conjugated molecules from fast ab initio calculations

M.Sc. Zaheer Abbas  |  Towards first-principles Monte Carlo simulations of vapor - liquid equilibria

Master students

Jiří Hrubant  |  Modeling the relationships between crystal structure variation and electronic structure of organic semiconductors   

Bachelor students

Tomáš Mráz  | In silico assessment of salts and cocrystal formation of pharmaceutical materials

Jan Sýkora | Crystal structure predictions of sulfonamide based active pharmaceutical ingredients

Jakub Červenka | In silico resolution of thymol-based eutectic or cocrystalline phases 

Martin Mojžíšek | Atomistic simulations of solubility of crystalline active pharmaceutical ingredients

Nela Březinová | Prediction of the solubility of psychoactive substances using quantum mechanics 

Tomáš Kopecký | Predictive modeling of the analytical behavior of degradation products of nerve agents using COSMO-RS 

Alumni

Ing. Jan Ludík, Ph. D.  |  Ab initio investigation of polymorphism of molecular crystals  

Ing. Veronika Kostková |  TU Liberec

Bc. Vladislav Aulich | UCT Prague

Ing. Lucie Draslarová  |  BOSCH

Bc. Lukáš Jiřiště  |  n/a

Dr. Daniel Himr  |  Brno University of Technology

Bc. Matěj Pur  |  Hospodářské noviny

Junior Star Team as of January 2023

Group as of June 2022