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Abstract of the talk:
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) models of water.
You are also welcome to join expert discussions on statistical-mechanical models of water after this talk.
This event is supported by the Polish National Agency for Academic Exchange, CEEPUS grant no. SI-1312-06-2324