270080 VU Molecular dynamics simulations and their analysis (2024S)
Continuous assessment of course work
Labels
REMOTE
Registration/Deregistration
Note: The time of your registration within the registration period has no effect on the allocation of places (no first come, first served).
- Registration is open from Sa 03.02.2024 08:00 to Mo 26.02.2024 23:59
- Deregistration possible until Mo 26.02.2024 23:59
Details
max. 12 participants
Language: German, English
Lecturers
Classes
The lecture will be held online. The date will be announced.
Information
Aims, contents and method of the course
This course introduces the techniques and evaluation methods of molecular dynamics simulations. We learn how to generate a trajectory (=film of moving molecules) and use it to predict or explain structural and dynamical properties of matter.
Assessment and permitted materials
Accompanying the lecture units, there will be Jupyter notebooks that go into more depth on the corresponding topics. In these Jupyter notebooks, students will be asked comprehension questions. Your written report containing your answers to these questions will be used for grading.
Minimum requirements and assessment criteria
Sufficient answers to the Jupyter-Notebook questions are required for a passing grade.
Examination topics
Fundamentals of molecular dynamics simulations, intra- and intermolecular potentials, common evaluation methods for structure elucidation, and transport properties.
Reading list
Andrew Leach: "Molecular Modelling: Principles and Applications"
Association in the course directory
D.3, TC-3, CH-MAT-01, WD3, Design
Last modified: Mo 29.01.2024 13:46