Department of Chemistry invites you to a lecture by Prof. Urbič from the University of Ljubljana
The lecture by Professor Tomaž Urbič from the University of Ljubljana, Slovenia, will now take place on Wednesday, 4th September 2024 at 10:00 in room 3.23 at CPTO following a change of date. Professor Urbič will deliver a lecture on the topic “What can we learn from doing computer simulations of simple water models?”.
The lecture is organised by the Department of Chemistry of the Faculty of Science at UJEP and cordially invites students, academics, and the professional public. The lecture will be held in English.
Lecture abstract:
The structures and properties of biomolecules like proteins, nucleic acids, and membranes depend on water. Water is also very important in industry. Overall, water is an unusual substance with more than 70 anomalous properties. The understanding of water is advancing significantly due to the theoretical and computational modeling. There are different kinds of models, models with fine-scale properties and increasing structural detail with increasing computational expense, and simple models, which focus on global properties of water like thermodynamics, phase diagram and are less computationally expensive. Simplified models give a better understanding of water in ways that complement more complex models. Here, we review the modelling of properties of water on different levels, the two dimensional Mercedes-Benz (MB) and rose models of water.