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Last update: doc. Mgr. Petr Kaplický, Ph.D. (02.06.2020)
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Last update: doc. Mgr. Petr Kaplický, Ph.D. (02.06.2020)
Tuckerman, Mark: Statistical Mechanics: Theory and Molecular Simulation. Ben-Naim, Aryeh: Molecular Theory of Solutions. van Kampen, N.: Stochastic Processes in Physics and Chemistry. |
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Last update: Christoph Allolio, Ph.D. (28.07.2021)
Contents:
molecular simulation
Means of Instruction:
The entire class, its materials as the final exercise will be provided online for those students that wish to take the course online. The course will be weekly from the start of the winter semester. To acquire the credits, students will need to successfully complete an exercise project at home.
Goals:
This course aims to provide a solid understanding of statistical thermodynamics and selected non-equilibrium processes, thus enabling students to independently conduct molecular simulations of soft matter systems. Technical instructions on how to perform these simulations on current hardware will be provided. Molecular simulations generate a large amount of data. Their analysis by statistical methods is very instructive for other data-driven applications. In this way, the course will increase the data literacy of the students. |
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Last update: doc. Mgr. Petr Kaplický, Ph.D. (02.06.2020)
Basic knowledge of thermodynamics, mechanics, statistical physics and algorithms. No knowledge of chemistry or biology required. |