témavezető: Tóth Gergely
helyszín (magyar oldal): TTK Kémiai Intézet helyszín rövidítés: Kém.
A kutatási téma leírása:
The main task of the student will be to perform computational chemistry calculations for chemically interesting systems. The calculations are selected from the total spectra of computational chemistry, including classical molecular dynamics and Monte Carlo methods on liquids, applied quantum chemical calculations, mesoscopic simulations. The investigations focus not only on structural and static thermodynamic data but also on dynamical and kinetic parameters. The project will be co supervised by experts of the detailed fields.
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