19780 Vorlesung

SoSe 14: Methods of molecular simulations

Petra Imhof, Nuria Plattner, Frank Noé, Christoph Wehmeyer

Hinweise für Studierende

For more up-to-date information see Lecture Homepage

Kommentar

This lecture teaches classical (non-quantum-mechanical) modeling and computer simulation of macromolecules.
In more detail, it covers:
  • Empirical energy function
  • Exploring the energy function: minimization, finding saddle points, vibrational analysis
  • Algorithms and data structures: periodic boundary conditions, cutoff, efficient neighbor search
  • Long-ranged interactions: coulomb sum, convergence, Poisson equation, Ewald summation, Particle-Mesh methods
  • Solvation methods: Explicit and implicit solvation
  • Dynamics: Integrators, discretization errors
Schließen

12 Termine

Regelmäßige Termine der Lehrveranstaltung

Do, 17.04.2014 12:00 - 14:00

Dozenten:
Univ.-Prof. Dr. Frank Noe
Dr. Nuria Plattner
Univ.-Prof. Dr. Petra Imhof
Dr. Christoph Wehmeyer

Räume:
0.1.01 Hörsaal B (Arnimallee 14)

Do, 24.04.2014 12:00 - 14:00

Dozenten:
Univ.-Prof. Dr. Frank Noe
Dr. Nuria Plattner
Univ.-Prof. Dr. Petra Imhof
Dr. Christoph Wehmeyer

Räume:
0.1.01 Hörsaal B (Arnimallee 14)

Do, 08.05.2014 12:00 - 14:00

Dozenten:
Univ.-Prof. Dr. Frank Noe
Dr. Nuria Plattner
Univ.-Prof. Dr. Petra Imhof
Dr. Christoph Wehmeyer

Räume:
0.1.01 Hörsaal B (Arnimallee 14)

Do, 15.05.2014 12:00 - 14:00

Dozenten:
Univ.-Prof. Dr. Frank Noe
Dr. Nuria Plattner
Univ.-Prof. Dr. Petra Imhof
Dr. Christoph Wehmeyer

Räume:
0.1.01 Hörsaal B (Arnimallee 14)

Do, 22.05.2014 12:00 - 14:00

Dozenten:
Univ.-Prof. Dr. Frank Noe
Dr. Nuria Plattner
Univ.-Prof. Dr. Petra Imhof
Dr. Christoph Wehmeyer

Räume:
0.1.01 Hörsaal B (Arnimallee 14)

Do, 05.06.2014 12:00 - 14:00

Dozenten:
Univ.-Prof. Dr. Frank Noe
Dr. Nuria Plattner
Univ.-Prof. Dr. Petra Imhof
Dr. Christoph Wehmeyer

Räume:
0.1.01 Hörsaal B (Arnimallee 14)

Do, 12.06.2014 12:00 - 14:00

Dozenten:
Univ.-Prof. Dr. Frank Noe
Dr. Nuria Plattner
Univ.-Prof. Dr. Petra Imhof
Dr. Christoph Wehmeyer

Räume:
0.1.01 Hörsaal B (Arnimallee 14)

Do, 19.06.2014 12:00 - 14:00

Dozenten:
Univ.-Prof. Dr. Frank Noe
Dr. Nuria Plattner
Univ.-Prof. Dr. Petra Imhof
Dr. Christoph Wehmeyer

Räume:
0.1.01 Hörsaal B (Arnimallee 14)

Do, 26.06.2014 12:00 - 14:00

Dozenten:
Univ.-Prof. Dr. Frank Noe
Dr. Nuria Plattner
Univ.-Prof. Dr. Petra Imhof
Dr. Christoph Wehmeyer

Räume:
0.1.01 Hörsaal B (Arnimallee 14)

Do, 03.07.2014 12:00 - 14:00

Dozenten:
Univ.-Prof. Dr. Frank Noe
Dr. Nuria Plattner
Univ.-Prof. Dr. Petra Imhof
Dr. Christoph Wehmeyer

Räume:
0.1.01 Hörsaal B (Arnimallee 14)

Do, 10.07.2014 12:00 - 14:00

Dozenten:
Univ.-Prof. Dr. Frank Noe
Dr. Nuria Plattner
Univ.-Prof. Dr. Petra Imhof
Dr. Christoph Wehmeyer

Räume:
0.1.01 Hörsaal B (Arnimallee 14)

Do, 17.07.2014 12:00 - 14:00

Dozenten:
Univ.-Prof. Dr. Frank Noe
Dr. Nuria Plattner
Univ.-Prof. Dr. Petra Imhof
Dr. Christoph Wehmeyer

Räume:
0.1.01 Hörsaal B (Arnimallee 14)

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