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Methods of Molecular Simulations S18
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Description

This course teaches molecular simulation algorithms and techniques, in particular:

  • Optimisation of stationary points on the potential energy surface
  • Normal mode analysis
  • Computation of Minimum energy pathways -Implicit Solvent Methods
  • Electrostatic treatment
  • Molecular dynamics algorithm and integrators
  • Monte Carlo sampling
  • Thermostats and Barostats

Description:
Exercises will be computer based
Basic Course Info
Course No Course Type Hours
20115901 Vorlesung 2
20115902 Übung 2
Time Span 19.04.2018 - 19.07.2018
Instructors
Petra Imhof
Nuria Plattner
Study Regulation
0352b_MA120 2013, MSc Physik (Mono), 120 LPs
0496a_MA120 2016, MSc Computational Science (Mono), 120 LPs

Methods of Molecular Simulations S18
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Main Events
Day Time Location Details
Thursday 16-18 1.3.21 Seminarraum T1 2018-04-19 - 2018-07-19
Accompanying Events
Day Time Location Details
Tuesday 12-14 Übung 02
Tuesday 12-14 Übung 01
Sunday ? - ? Pseudotutorium zur Kapazitätsplanung - potentielle Übungsteilnehmer melden sich bitte hier an!

Methods of Molecular Simulations S18
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Methods of Molecular Simulations S18
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