Molecular dynamics and Monte-Carlo simulation
CH-351
Media
- Timetable 2025 (File)
- Announcements (Forum)
- ForumPlease ask here and discuss questions you may... (Text and media area)
- Questions? (Forum)
- Recordings (Text and media area)
- Recording from last year (URL)
- Exercise Sessions (Text and media area)
- Exercise Notebooks (URL)
- Mock Exam (2023) (Text and media area)
- Mock Exam (Exam from 2023) (File)
Tuesday 18.02.25 - Course
Tue 18.02 - 11:15-13:00
Course (BCH3118)
Introduction and chapter 1 - From Quantum Mechanics to Classical Mechanics
- Slides Lecture 1 2025 (File)
- Script Chapter 1 2025 (File)
- Appendix to Chapter 1 2025 (File)
- Recording Intro and Chapter 1 - 2021 (URL)
Tuesday 25.02.25 - Exercise
Tue 25.02 - 11:15-13:00
Exercises (BCH1103)
Exercise 1 - Estimating π via Monte Carlo integration
- Exercise 1 - Exercise link (URL)
- Introductory slides - Ex 1 (File)
- Exercise 1 Introduction Recording (from 2022) (URL)
Tuesday 04.03.25 - Course
Tue 04.03 - 11:15-13:00
Course (BCH3118)
Chapter 2 - Statistical Mechanics
- Slides - Lecture 2 (File)
- Script - Chapter 2 Statistical Mechanics in a Nutshell File (File)
- Recording Chapter 2 - Spring 2022 (URL)
Tuesday 11.03.25 - Exercise
Exercises (BCH1103)
Exercise 2 - Statistical Thermodynamics and the Boltzmann Distribution
- Exercise 2 - Exercise link (URL)
- Introductory Slides - Ex 2 (File)
- Exercise 2 Introduction Recording (from 2022) (URL)
Tuesday 18.03.25 - Course
Course (BCH3118)
Chapter 3 - Monte Carlo Simulations
- Slides - Lecture 3 (File)
- Script - Chapter 3: Monte Carlo Simulations (File)
- MC move sets (additional material) from 2023 (File)
- Recording Chapter 3 (I) - Spring 2021 (URL)
- Recording Chapter 3 (II) - Spring 2021 (URL)
- Recording Chapter 3 (III) - Spring 2021 (URL)
- Recording Chapter 3 (IV) - Spring 2021 (URL)
Tuesday 25.03.25 - Exercise
Exercises (BCH1103)
Exercise 3 - Monte Carlo Simulations and the Photon Gas
- Exercise 3 - Exercise Link (URL)
- Introductory Slides - Ex 3 (File)
- Exercise 3 Introduction Recording (from 2022) (URL)
- Additional description Monte Carlo (File)
Tuesday 01.04.25 - Course
Tue 01.04 - 11:15-13:00
Course (BCH3118)
Chapter 4 - Molecular Dynamics Simulations
- Slides - Lectures 4 & 5 (File)
- Script - Chapter 4 Molecular Dynamics Simulations (File)
- Recording Chapter 4 - Spring 2021 (URL)
- Recording Chapter 4 (part 2) - Spring 2021 (URL)
- Recording Chapter 4 (part 3) - Spring 2021 (URL)
- Recording Chapter 4 (part 4) - Spring 2021 (URL)
Tuesday 08.04.25 - Exercise
Exercises (BCH1103)
Exercise 4 - Introduction to Molecular Dynamics: integrators and PBC
- Introductory Slides - Ex 4 (File)
- Exercise 4 - Exercise Link (URL)
- Exercise 4 Introduction Recording (from 2022) (URL)
Tuesday 15.04.25 - Course
Tue 15.04 - 11:15-13:00
Course (BCH3118)
Chapter 4 - Molecular dynamics simulations II
Slides: same as last week
Tuesday 22.04.25 - Easter break - NO COURSE
Easter break - No course
Tuesday 29.04.25 - Exercise
Tue 29.04 - 11:15-13:00
Exercise (BCH1103)
Exercise 5 - Force fields and running MD in the NVT ensemble
- Exercise 5 - Exercise Link (URL)
- Introductory Slides - Ex 5 (File)
- Additional slides on thermostats (File)
- ToyMD Code from last week (File)
Tuesday 06.05.25 - Course
Tue 06.05 - 11:15-13:00
Course (BCH3118)
Chapter 6 - Advanced Molecular Dynamics Techniques
- Slides Lecture 6 (same as lectures 4 and 5) (File)
- Slides Lecture 6 (additional slides) (File)
- Chapter 6 Recording - Spring 2024 (URL)
Tuesday 13.05.25 - Exercises
Tue 13.05 - 11:15-13:00
Exercise (BCH1103)
Exercise 6 - MD simulation of Protein Folding
- Exercise 6 - Exercise Link (URL)
- Introductory Slides - Ex 6 (File)
- Exercise 6 Introduction recording from last year (URL)
Tuesday 20.05.25 Q&A Session
Tue 20.05 - 11:15-13:00
Course (BCH3118)
Question & Answer Session
Tuesday 27.05.24 - Written Exam
Time/Date: Tuesday May 27th, 11h15-13h (we will be in the room by 11h if you'd like to arrive earlier to organize yourself)
Location: Exercise (Interviews) classroom BCH 1103
Content: Chapter 6 content will only be used for bonus questions if at all.
Materials:
- 1 page of summary notes will be permitted during the exam (1 A4 size paper, front and back)
- Calculators will be permitted during the exam, but not necessary
- No other electronic device allowed
- We will provide paper to write your answers