Publication at Faculty of Mathematics and Physics |
2010
Abstract
Molecular simulations techniques were established at Department of Chemical Physics and Optics, Faculty of Mathematics and Physics, Charles university in the year 1997. Cerius software and SGI computer Octane was bought in this year.
Material Studio for PC from Accelrys firm was bought later. Both software are used for structure analysis of silicates, LDH, liquid crystals, cocoa butter, drugs and other.
Software is widely used for teaching. Students work on their diploma or doctoral theses.
Solving of inorganic organic hybrid powder materials without molecular simulations seems to be very difficult or nearly impossible.