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Glossary
Semester (Sem)
1First Semester
2Second Semester
AAnnual course
Educational activities
CSimilar or integrative activities
Language
Course completely offered in italian
Course completely offered in english
--Not available
Innovative teaching
The credits shown next to this symbol indicate the part of the course CFUs provided with Innovative teaching.
These CFUs include:
  • Subject taught jointly with companies or organizations
  • Blended Learning & Flipped Classroom
  • Massive Open Online Courses (MOOC)
  • Soft Skills
Course Details
Context
Academic Year 2019/2020
School School of Industrial and Information Engineering
Name (Master of Science degree)(ord. 270) - MI (472) Chemical Engineering
Track N2A - Process Engineer
Programme Year 2

Course Details
ID Code 054357
Course Title MOLECULAR MODELING OF MATERIALS
Course Type Mono-Disciplinary Course
Credits (CFU / ECTS) 5.0
Semester Second Semester
Course Description The course aims at providing the students with the methods available for modeling the properties of molecules and materials from the quantum mechanical point of view. At first, emphasis is put on those methods which are simple enough to allow for direct solutions (as the Hckel or Tight-Binding methods) and thus clarify the basic features of the electronic structure of materials. Based on this background, more accurate numerical methods nowadays available (as Density Functional Theory) will be introduced. During the course the student will personally use some common computational codes for the calculation of properties of molecules and materials. The student will be helped to critically assess the results of the calculations avoiding the use of these computer codes as "black box".
Scientific-Disciplinary Sector (SSD)
Educational activities SSD Code SSD Description CFU
C
CHIM/07
PRINCIPLES OF CHEMISTRY FOR APPLIED TECHNOLOGIES
5.0

Schedule, add and removeAlphabetical groupProfessorLanguageCourse details
From (included)To (excluded)
------Docente non definito--
manifesti v. 3.3.4 / 3.3.4
Area Servizi ICT
10/04/2020