Computational Materials Sciences

Period of duration of course
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Course info
Number of course hours
50
Number of hours of lecturers of reference
50
Number of hours of supplementary teaching
0
CFU 8
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Type of exam

Oral exam

Lecturer

View lecturer details

Prerequisites

Prerequisites: Masters degree courses in Physics, Chemistry, Biology. The course is suggested for PhD and Masters degree students.

Programme

The aim of the course is to provide an overview of the theories and methodologies currently used in various fields of computational molecular sciences, ranging from biomedical sciences to material sciences. A special focus will be devoted to those models and algorithms related to molecular simulation techniques, including enhanced sampling and free energy methods. Such models will be illustrated along with relevant examples taken from recent literature and concerning different molecular modeling applications. 

Educational aims

- Providing a basic theoretical ground for the comprehension of molecular modeling techniques currently used in the field of life and material sciences

- Developing competences on some of the most common computational methodologies used in molecular sciences

- Developing computational skills through tutorials and exercises 

- Stimulating the students to study a scientific problem of their interest suitable to be treated with molecular modeling methodologies

Bibliographical references

Molecular Modelling: Principles and Applications (2nd Edition), Leach

Understanding Molecular Simulation, Second Edition: From Algorithms to Applications (Computational Science) 2nd Edition, Frenkel

Additional articles and reference material will be provided in class.