https://github.com/giovannibussi/schloss-ringberg-2022
https://github.com/giovannibussi/schloss-ringberg-2022
Last synced: 2 months ago
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- Host: GitHub
- URL: https://github.com/giovannibussi/schloss-ringberg-2022
- Owner: GiovanniBussi
- Created: 2022-07-04T09:03:58.000Z (almost 3 years ago)
- Default Branch: main
- Last Pushed: 2022-07-04T14:10:57.000Z (almost 3 years ago)
- Last Synced: 2025-02-05T17:11:55.536Z (4 months ago)
- Language: Jupyter Notebook
- Size: 2.43 MB
- Stars: 0
- Watchers: 3
- Forks: 0
- Open Issues: 0
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Metadata Files:
- Readme: README.md
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README
# Schloss-Ringberg-2022
Notes written during the lecture are [here](./Lecture.pdf).
Figures used in the presentations were generated with [this notebook](./Figures.ipynb).
Books about molecular dynamics:
- Frenkel and Smit, Understanding Molecular Simulation.
- Tuckerman, Statistical Mechanics: Theory and Molecular Simulation.
References about thermostats:
- Bussi and Parrinello, [PRE 2007](https://doi.org/10.1103/PhysRevE.75.056707) for the way we showed how to integrate Langevin equations.
- Bussi, Donadio, and Parrinello, [JCP 2007](https://doi.org/10.1063/1.2408420)
and Bussi and Parrinello, [CPC](https://doi.org/10.1016/j.cpc.2008.01.006) for stochastic velocity rescaling.
Reference about metadynamics (we didn't have time to go through this however):
- Bussi and Parrinello [Nat Rev Phys](https://doi.org/10.1038/s42254-020-0153-0).
Material about enhanced sampling, collective variables, etc.:
- [PLUMED masterclass](https://www.plumed.org/masterclass)