Adaptive resolution methods in soft matter simulations

5 giugno 2017
5 giugno 2017
Contatti: 
Dipartimento di Fisica, Segreteria
via Sommarive, 14 - 38123 Povo (Trento)
Tel. 
+39 0461 281504 - 1575 - 2042 - 1545
Fax 
+39 0461 281696

Venue: Aula A210, Polo Scientifico e Tecnologico "Fabio Ferrari" - Povo1
At: 11.00

  • Prof. Raffaello Potestio - Max-Planck Institut for Polymer Research, Mainz, Germany

Abstract

One of the most challenging aspects in the computational study of soft matter is its intrinsic multi-scale nature, that is, the fact that many relevant processes take place on a broad range of length and time scales. Their interplay often limit, and sometimes prevent, the usage of coarse-grained models, due to the lack of relevant chemical details. On the other hand, the large system sizes make it difficult if not impossible to employ a highly detailed yet computationally expensive atomistic representation. 

Dual resolution simulation methods aim at overcoming these limitations making use of different models with different resolution in a concurrent fashion, thereby employing a detailed description where strictly necessary, and an effective, coarse-grained model elsewhere.

This seminar will provide an overview of the basic principles and techniques, enabling this approach. Selected applications will be also presented, for cases of relevance in the field of biochemistry and protein science.

The seminar will be followed by the presentation of the short course in "Coarse graining methods in soft matter simulations", which will be held in the subsequent days (June 6-7, time 14-16, Aula A210; June 8-9, time 14-16, Aula A107).

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application/pdfSeminario Potestio-5 giugno(PDF | 1017 KB)