Difference between revisions of "Simulation Methods in Physics I WS 2012"

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;Course language
 
;Course language
 
:English
 
:English
;Lectures
+
;Location and Time
:Time: Thursdays, 11:30 - 13:00
+
:'''Lecture''': Thursdays, 11:30 - 13:00; ICP, Allmandring 3, Seminarroom 1
: Room ICP, Allmandring 3, Seminarroom 1
+
:'''Tutorials''': tbd; ICP, Allmandring 3, CIP-Pool
 +
; Prerequisites
 +
: We expect the participants to have basic knowledge in classical and statistical mechanics, thermodynamics, and partial differential equations, as well as knowledge of a programming language (python or C).
  
 
The lecture is accompanied by hands-on-tutorials which will take place in the CIP-Pool of the ICP, Allmandring 3. They consist of practical exercises at the computer, like small programming tasks, simulations, visualization and data analysis.
 
The lecture is accompanied by hands-on-tutorials which will take place in the CIP-Pool of the ICP, Allmandring 3. They consist of practical exercises at the computer, like small programming tasks, simulations, visualization and data analysis.
The tutorials build on each other, therefore continuous attendance is expected.
+
The tutorials build upon each other, therefore continuous attendance is expected.
 
   
 
   
 +
== Scope of the lecture ==
  
==Scope of the course Simulation Methods 1==
+
The first part of the course intends to give an overview about modern simulation methods used in physics today. The stress of the lecture will be to introduce different approaches to simulate a problem, hence we will not go too to deep into specific details but rather try to cover a broad range of methods. In more detail, the lecture will consist of:
  
The first part of the course intends to give an overview about modern simulation methods
+
; Molecular Dynamics
used in physics today. The stress of the lecture will be to introduce different
+
:The first problem that comes to mind when thinking about simulating physics is solving Newtons  equations of motion for some particles with given interactions. From that perspective, we first introduce the  most common numerical integrators. This approach quickly leads us to Molecular Dynamics (MD) simulations. Many of the complex problems of practical importance require us to take a closer look at statistical properties, ensembles and the macroscopic observables.
approaches to simulate a problem, hence we will not go too to deep into specific details but rather try to cover a broad range of methods. In more detail, the
+
:The goal is to be able to set up and run real MD simulations for different ensembles and understand and interpret the output.
lecture will consist of:
 
  
'''1. Molecular Dynamics'''
+
; Error Analysis
 +
:Autocorrelation, Jackknifing, Bootstrapping
  
The first problem that comes to mind when thinking about simulating
+
; Monte Carlo Simulations
physics is solving Newtons  equations of motion for some particles with
+
:Since their invention, the importance of Monte Carlo (MC) sampling has grown constantly. Nowadays it is applied to a wide class of problems in modern computational physics. We want to present the general idea and theory behind MC simulations and show some more properties using simple toy models like the Ising-model.
given interactions. From that perspective, we first introduce the most
 
common numerical integrators. This approach quickly leads us to
 
Molecular Dynamics (MD) simulations. Many of the complex problems of
 
practical importance require us to take a closer look at statistical
 
properties, ensembles and the macroscopic observables.
 
  
The goal is to be able to set up and run real MD simulations for
+
; Short interlude on Quantum Mechanical Systems
different ensembles and understand and interpret the output.
+
:It is obvious that solving quantum mechanical systems analytically is not possible and we need numerical help. We also want to examine the possibilities to simulate the quantum chromodynamics PDEs on a lattice (lattice gauge theory).
  
'''2. Error Analysis'''
+
==  Examination ==
  
Autocorrelation, Jackknifing, Bootstrapping
+
Depending on the module that this lecture is part of, there are differences on how to get the credits for the module:
 
+
; BSc/MSc Physik, Modul "Simulationsmethoden in der Physik" (36010)
'''3. Monte Carlo Simulations'''
+
:* Obtain 50% of the possible points in the hands-in excercises of this lecture as a prerequisite for the examination (USL-V)
 
+
:* 60 min of oral examination (PL)
Since their invention, the importance of Monte Carlo (MC) sampling has
+
:** After the lecture "Simulation Methods in Physics II" in summer term (i.e. Summer 2013)
grown constantly. Nowadays it is applied to a wide class of problems in modern
+
:** Contents: both lectures and the excercises of "Simulation Methods in Physics I"
computational physics. We want to present the general idea and theory
+
; BSc/MSc SimTech, Modul "Simulationsmethoden in der Physik für SimTech I" (40520)
behind MC simulations and show some more properties using simple toy models
+
:* Obtain 50% of the possible points in the hands-in excercises of this lecture as a prerequisite for the examination (USL-V)
like the Ising-model.
+
:* 40 min of oral examination (PL)  
 
+
:** about the lecture and the excercises
'''4. Short interlude on Quantum mechanical systems'''
+
; MSc Chemie, Modul "Simulationsmethoden in der Physik für Chemiker I" (35840)
 
+
:* Obtained marks from the excercises (BSL)
It is obvious that solving quantum mechanical systems analytically is not possible and we need numerical help. We also want to examine the possibilities to simulate the quantum chromodynamics PDEs on a lattice (lattice gauge theory).
 
 
 
== Prerequisites ==
 
We expect the participants to have basic knowledge in classical and statistical mechanics, thermodynamics, and partial differential equations, as well as knowledge of a programming language (python or C).
 
 
 
==  Prerequisites for the examination ==
 
# Attendance of the exercise classes
 
# Obtaining 50% of the possible marks in the hand-in exercises
 
(In German: USL -V )
 
 
 
There will be a final grade for the Module "Simulation Methods" (this module consists of both lectures, Sim I plus Sim II and the exercise of Simulation Methods I) determined at the end of lecture Simulation Methods II.
 
The grade will be determined in the following way :
 
There is an oral examination (60 minutes) performed at (or after) the end of the course Simulation Methods II (SS 2012), where the dates are to be settled with the lecturer.
 
 
 
People taking other modules where this course is part of should contact the lecturer for optional other examinations.
 

Revision as of 10:21, 18 October 2012

Overview

Type
Lecture (2 SWS) and Tutorials (2 SWS)
Lecturer
Prof. Dr. Christian Holm (Lecture); Dr. Olaf Lenz and Dr. Jens Smiatek (Tutorials)
Course language
English
Location and Time
Lecture: Thursdays, 11:30 - 13:00; ICP, Allmandring 3, Seminarroom 1
Tutorials: tbd; ICP, Allmandring 3, CIP-Pool
Prerequisites
We expect the participants to have basic knowledge in classical and statistical mechanics, thermodynamics, and partial differential equations, as well as knowledge of a programming language (python or C).

The lecture is accompanied by hands-on-tutorials which will take place in the CIP-Pool of the ICP, Allmandring 3. They consist of practical exercises at the computer, like small programming tasks, simulations, visualization and data analysis. The tutorials build upon each other, therefore continuous attendance is expected.

Scope of the lecture

The first part of the course intends to give an overview about modern simulation methods used in physics today. The stress of the lecture will be to introduce different approaches to simulate a problem, hence we will not go too to deep into specific details but rather try to cover a broad range of methods. In more detail, the lecture will consist of:

Molecular Dynamics
The first problem that comes to mind when thinking about simulating physics is solving Newtons equations of motion for some particles with given interactions. From that perspective, we first introduce the most common numerical integrators. This approach quickly leads us to Molecular Dynamics (MD) simulations. Many of the complex problems of practical importance require us to take a closer look at statistical properties, ensembles and the macroscopic observables.
The goal is to be able to set up and run real MD simulations for different ensembles and understand and interpret the output.
Error Analysis
Autocorrelation, Jackknifing, Bootstrapping
Monte Carlo Simulations
Since their invention, the importance of Monte Carlo (MC) sampling has grown constantly. Nowadays it is applied to a wide class of problems in modern computational physics. We want to present the general idea and theory behind MC simulations and show some more properties using simple toy models like the Ising-model.
Short interlude on Quantum Mechanical Systems
It is obvious that solving quantum mechanical systems analytically is not possible and we need numerical help. We also want to examine the possibilities to simulate the quantum chromodynamics PDEs on a lattice (lattice gauge theory).

Examination

Depending on the module that this lecture is part of, there are differences on how to get the credits for the module:

BSc/MSc Physik, Modul "Simulationsmethoden in der Physik" (36010)
  • Obtain 50% of the possible points in the hands-in excercises of this lecture as a prerequisite for the examination (USL-V)
  • 60 min of oral examination (PL)
    • After the lecture "Simulation Methods in Physics II" in summer term (i.e. Summer 2013)
    • Contents: both lectures and the excercises of "Simulation Methods in Physics I"
BSc/MSc SimTech, Modul "Simulationsmethoden in der Physik für SimTech I" (40520)
  • Obtain 50% of the possible points in the hands-in excercises of this lecture as a prerequisite for the examination (USL-V)
  • 40 min of oral examination (PL)
    • about the lecture and the excercises
MSc Chemie, Modul "Simulationsmethoden in der Physik für Chemiker I" (35840)
  • Obtained marks from the excercises (BSL)