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Classical Simulation of (Bio)Molecular Systems
Last Updated: 2026-02-05 16:30:50
Abstract
Molecular models, classical force fields, configuration sampling, molecular dynamics simulation, boundary conditions, electrostatic interactions, analysis of trajectories, free-energy calculations, structure refinement, applications in chemistry and biology. Exercises: hands-on computer exercises for learning progressively how to perform an analyze classical simulations (using the package GROMOS).
Objective
Introduction to classical (atomistic) computer simulation of (bio)molecular systems, development of skills to carry out and interpret these simulations.
Content
Molecular models, classical force fields, configuration sampling, molecular dynamics simulation, boundary conditions, electrostatic interactions, analysis of trajectories, free-energy calculations, structure refinement, applications in chemistry and biology. Exercises: hands-on computer exercises for learning progressively how to perform an analyze classical simulations (using the package GROMOS).
Resources
Lecture Notes
The powerpoint slides of the lectures will be made available weekly on the website in pdf format (on the day preceding each lecture).
Literature
See: www.csms.ethz.ch/education/CSBMS
Learning Materials (Links)
- Main link
- Website of the lecture/exercises
General Information
- Language
- English
- Levels
- BSC , DR , MSC
- Frequency
- Yearly recurring
Examination
- Type
- session examination
- Mode
- oral 30 minutes
Course Components
| Type | Title | Time & Place | Hours |
|---|---|---|---|
| lecture with exercise |
Classical Simulation of (Bio)Molecular Systems
2 hr lecture + 2 hr exercise session in the computer room
Either on Tuesdays 7:30-9:30 a.m. or on Thursdays 7:30-9:30 a.m.
|
|
4 h weekly |
Offered In
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Electives (Students are free to choose from a range of D-CHAB chemistry courses appropriate to their level of study (please note admission requirements). In case of doubt, contact the student administration.)
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Computational Biology and Bioinformatics Master (More information at: )
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Core Courses (The list of core courses is a closed list, no other courses can be added in this category.Also, the assignment of the courses to the respective subcategories cannot be changed. Students need to pass at least one course in each core course subcategory. A total of 40 ECTS needs to be acquired in the core course category (including the mandatory CBB seminar).)
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Doctorate Materials Science (Further information at: )
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