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COMPUTATIONAL NANOSCIENCES
GIOVANNI BARCARO
Academic year2020/21
CourseMATERIALS AND NANOTECHNOLOGY
Code283CC
Credits6
PeriodSemester 1
LanguageEnglish

ModulesAreaTypeHoursTeacher(s)
COMPUTATIONAL NANOSCIENCESCHIM/02LEZIONI48
GIOVANNI BARCARO unimap
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Learning outcomes
Knowledge

The course will review the fundamental computational approaches for materials modeling in the framework of a hierarchical multi-scale paradigm: first-principles methods, classical and reactive molecular dynamics, coarse-grained methods and continuum methods. The basic theory at the base of each approach will be outlined with a quick summary of the main (open-source) codes available for each described computational method. By reviewing the latest advances in the scientific literature, it will be shown how multi-scale computational modeling is gaining a pivotal role in the field of computational materials science and how it is used to understand and design new structures and new materials following a “bottom-up” approach from atomistic to real-world scale resolution. In the perspective of applying multi-scale modeling to the investigation and design of materials for technological applications with peculiar response properties, the attention of the course will be put on basic structure/property relationships applied to a variety of both inorganic (nano-composite) and bio-based materials.

Prerequisites

Basic knowledge of physics, chemistry and mathematics.

Teaching methods

Frontal lessons + Computational laboratories.

Bibliography

"Molecular modelling: principles and applications", Andrew R. Leach, Pearson.

"Biomateriomics", Steven W. Cranford, Markus J. Buehler, Springer.

Scientific papers distributed by the teacher during the course.

Assessment methods

Students will be tested against the arguments of the course in an oral exam.

Updated: 14/09/2020 10:55