BB3570 Multiscale Modelling in Chemistry and Biology 10.0 credits

Flerskalig modellering i kemi och biologi

  • Educational level

    Third cycle
  • Academic level (A-D)

    D
  • Subject area

  • Grade scale

Information for research students about course offerings

Every Spring

Intended learning outcomes

This course aims at providing students with fundamental concepts, principles, and methods in multiscale modelling. You will learn how to use multiscale modelling methods to study large molecular systems.

For whom: PhD students

Course main content

  1. Introduction to multiscale modelling
  2. Review of electronic structure calculation methods
  3. Modelling of interatomic interactions
  4. Methods for atomistic scale simulations
  5. Meso-scale simulation methods
  6. Computer exercises
  7. Projects

Disposition

  • Lectures: 8 weeks a 4 hrs/week = 32 hrs  2-• • Projects: 3 weeks a* 4 hrs/week = 8-12 hrs

• Project presentations and discussions

• 4 computer exercises

• 2 small projects

• 1 big project

Eligibility

PhD students who have the fundamental knowledge of molecular modeling, in particular quantum chemistry.

Literature

Andrew R. Leach,“Molecular Modeling, Principles and Applications”, 2nd edition
(ISBN-13: 978-0582382107)

Lecture notes and handouts will be distributed after each lecture.

Required equipment

Examination

Requirements for final grade

Attendance on at least 80% of the lectures, finish all the exercises and projects and present the results.

Offered by

BIO/Biotechnology

Contact

Yaoquan Tu, e-mail: yaoquan@kth.se, tel: +46 8 790 9645

Examiner

Yaoquan Tu <yaoquan@kth.se>

Supplementary information

How to apply and last day of application:

Contact the examinator

Number of students:

Max 20

Version

Course syllabus valid from: Spring 2017.