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Multiscale modeling of complex systems: from biomaterials to astrochemistry
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Advanced Theory and Simulation
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Academic year 2022/2023
- Teacher
- Marta Corno (Titolare del corso)
- Teaching period
- Second semester
- Type
- Basic
- Credits/Recognition
- 4
- Course disciplinary sector (SSD)
- CHIM/02 - physical chemistry
- Delivery
- Formal authority
- Language
- English
- Attendance
- Obligatory
- Type of examination
- Oral
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Sommario del corso
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Course objectives
During this course, multiscale approaches applied in computational chemistry for the simulation of complex systems will be presented. Some specific examples will be reported to show how computational chemistry can shed light on very different cases of materials, from various classes of biomaterials to minerals and ices relevant in the astrochemical context.
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Course delivery
Lessons will take place in-person.
Students are asked to bring their own laptops to class in order to be actively involved in the course, since some practical exercises will take place.
Attendance of at least 70% of the classes is mandatory. This means that, out of a total of 10 lessons, each student is allowed to miss a maximum of 3 lessons.
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Program
The course will cover the following topics:
- Computational chemistry: what to be what?
- Classical or quantum? Let's try both!
- Biomaterials: an inherently multiscale problem
- Case studies of computational chemistry applied to the world of biomaterials: hydroxyapatite, bioglass, silica...
- Computational astrochemistry: sometimes the only alternative
Suggested readings and bibliography
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Note
CLASS SCHEDULE
Lectures will be delivered in Auletta II (Dipartimento di Chimica, via Giuria 7, first floor):
- 9/05: 10-12
- 12/05: 10-12
- 16/05: 10-12
- 17/05: 10-12
- 19/05: 10-12
- 23/05: 10-12
- 24/05: 10-12
- 26/05: 10-12
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