| Allgemeine Angaben |
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| Molecular Dynamics Simulations: from Principles to Application | | |
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| Angaben zur Abhaltung |
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I Simulation methods
- MD basics (equations of motion, integrators etc.)
- MD in various ensembles
- Long-range interactions
- Free energy simulations
- Car-Parinello MD
- Non-equilibrium simulations
- Force fields
II Applications
- Water and aqeuous solutions
- Biomolecules
- Interfacial systems |
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| Für die Anmeldung zur Teilnahme müssen Sie sich in TUMonline als Studierende*r identifizieren. |
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| Zusatzinformationen |
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D. Frenkel, B. Smit Understanding Molecular Simulation
M. P. Allen, D. J. Tildesley Computer Simulation of Liquids |
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