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Theme 1 colloquium: “Interactions and dynamics in molecular solids” (Lecture)

Tuesday 6 February 2018Add to my calendar
from 16:00
prof. Herma Cuppen (Computational Chemistry)

Herma CuppenMolecular solids like molecular crystals and amorphous solid water are widely studied and are generally well characterized by different characterization techniques. Structural changes in these materials are however less well understood.

The structuring and mobility in these solids is dominated by weak interactions which can easily be broken and reformed. I will show how a range of different computational techniques in combination with experiments can give insight in these structural changes. The fundamental difficulty is to cover processes that take place over a large range of timescales: molecular movement on picosecond timescales can lead to phase changes over hours to years. I will use molecular crystals undergoing a phase transitions and systems relevant for astrochemistry as examples.

dr. Joost Bakker/dr. Gilles de Wijs