19780 Lecture

SoSe 14: Methods of molecular simulations

Petra Imhof, Nuria Plattner, Frank Noé, Christoph Wehmeyer

Information for students

For more up-to-date information see Lecture Homepage

Comments

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
close

12 Class schedule

Regular appointments

Thu, 2014-04-17 12:00 - 14:00

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

Location:
0.1.01 Hörsaal B (Arnimallee 14)

Thu, 2014-04-24 12:00 - 14:00

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

Location:
0.1.01 Hörsaal B (Arnimallee 14)

Thu, 2014-05-08 12:00 - 14:00

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

Location:
0.1.01 Hörsaal B (Arnimallee 14)

Thu, 2014-05-15 12:00 - 14:00

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

Location:
0.1.01 Hörsaal B (Arnimallee 14)

Thu, 2014-05-22 12:00 - 14:00

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

Location:
0.1.01 Hörsaal B (Arnimallee 14)

Thu, 2014-06-05 12:00 - 14:00

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

Location:
0.1.01 Hörsaal B (Arnimallee 14)

Thu, 2014-06-12 12:00 - 14:00

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

Location:
0.1.01 Hörsaal B (Arnimallee 14)

Thu, 2014-06-19 12:00 - 14:00

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

Location:
0.1.01 Hörsaal B (Arnimallee 14)

Thu, 2014-06-26 12:00 - 14:00

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

Location:
0.1.01 Hörsaal B (Arnimallee 14)

Thu, 2014-07-03 12:00 - 14:00

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

Location:
0.1.01 Hörsaal B (Arnimallee 14)

Thu, 2014-07-10 12:00 - 14:00

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

Location:
0.1.01 Hörsaal B (Arnimallee 14)

Thu, 2014-07-17 12:00 - 14:00

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

Location:
0.1.01 Hörsaal B (Arnimallee 14)

Subjects A - Z