Teaching

Theoretische Physik IV (Statistische Physik und theoretische Thermodynamik)

Prof. Dr. Gerhard Stock

Dienstag: 10:00 - 12:00, Mittwoch: 10:00 - 12:00, Hörsaal II (Physik Hochhaus)

Beginn: Dienstag, 15.10.2024

Übungsleitung: Dr. Anja Kuhnhold

Inhalte:

Grundlagen der theoretischen Thermodynamik: Postulate und Hauptsätze, thermodynamische Potenziale, Zustandsgleichungen, Zyklische Prozesse

Statistische Mechanik: Mikroskopische Beschreibung von thermodynamischen Gleichgewichtszuständen, Zustandssummen, Ensemble-Theorie

Spezielle Themen: Quantenstatistik, Phasenübergänge

Literatur:

  • Script auf ILIAS erhältlich
  • Greiner: Thermodynamik und Statistische Mechanik

Simulating the Physical World

Prof. Dr. Gerhard Stock

Wahlplichtfach Bachelor, Elective Subjects Master (9 CP), 4SWS

Monday, 10:00 - 12:00, Wednesday, 10:00 - 12:00, SR I

1. lecture: Monday, 15.04.2024

Exercises (Computer Lab): PD Dr. Steffen Wolf

Synopsis

This lecture is introduces various essentials of computational physics, offering a comprehensive exploration of techniques for studying the basic behavior of materials and biomolecules. The curriculum is structured around four main pillars:

Fundamentals: We start with the underlying theory, including a 'first principles' description that lays the foundation for understanding complex systems. This part covers the transition from quantum to classical mechanics and covers the basic concepts of statistical mechanics, providing the theoretical backbone for the rest of the series.

Simulation Approaches: This section covers a variety of approaches, from probability distributions and the Monte-Carlo method to molecular dynamics simulations. Here, we address the sampling problem, explore the significance of the force field in simulations, and consider time-dependent phenomena, thus obtaining a sound understanding of how simulations are constructed and executed.

Analysis and Advanced Topics: The final segment of the program focuses on analysis techniques and advanced topics, including nonequilibrium simulations, enhanced sampling techniques, and Markov models. We also touch basic concepts of machine learning, with a focus on dimensionality reduction, highlighting how these tools can be used to interpret complex datasets and improve the accuracy and efficiency of simulations.

Computer Exercises: The students will gain first-hand experience with these computational tools, enhancing their ability to apply theoretical concepts to real-world scientific challenges. This approach aims to equip students with a versatile toolkit of computational methods, including but not limited to molecular dynamics and Monte-Carlo simulations. By the series' conclusion, participants will have a solid understanding of the computational strategies that underpin modern scientific inquiry, prepared with the skills to apply these techniques in their future studies or research endeavors.

Preliminary Program

I. Introduction

  • First principles description
  • From quantum to classical mechanics
  • Statistical description and probability
  • Statistical mechanics in a nutshell
  • Stochastic processes

II. Simulation Approach

  • Probability distributions and averages
  • Monte-Carlo method
  • Molecular dynamics simulations
  • Sampling problem
  • The force field
  • Time-dependent phenomena
  • Analysis techniques

III. Advanced Topics

  • Nonequilibrium simulations
  • Enhanced sampling techniques
  • Dimensionality Reduction Techniques
  • Markov models

Literature:

  • Script available on ILIAS
  • D. Frenkel, B. Smit: Understanding Molecular Simulation
  • H.J.C. Berendsen: Simulating the Physical World

Classical Complex Systems

Prof. Dr. Gerhard Stock

Lecture in Advanced Theoretical Physics (9CP) - Advanced bachelor students are welcome

Monday, 10:00 - 12:00, Wednesday, 12:00 - 14:00, SR I

1. lecture: Monday, 16.10.2023

Exercises (Computer Lab): PD Dr. Steffen Wolf

Synopsis

Recent advances in theoretical and computational sciences has made it possible to achieve a "first principles" description of complex phenomena, such as the dynamical properties of materials and the functional motion of biomolecules. To this end, the lecture aims to provide an introduction into basic computational strategies (such as molecular dynamics and Monte-Carlo simulations) as well as powerful statistical theories (such as Langevin and Master Equations). The lessions are accompanied by computer exercises, which provide an hands-on experience of the topics.

Preliminary Program

I. Introduction

  • First principles description
  • From quantum to classical mechanics
  • Statistical description and probability
  • Statistical mechanics in a nutshell
  • Emergent complexity of dynamics

II. Simulation Approach

  • Probability Distributions and Sampling
  • Molecular Dynamics and Monte-Carlo Simulations
  • Description of Time-dependent Phenomena

III. Theory of Open Systems

  • Langevin Equations
  • Fluctuation-Dissipation Theorem
  • Fokker-Planck Equations
  • Transition State Theory
  • Theory of Stochastic Processes
  • Master Equations

IV. Nonlinear Dynamics

  • Theory of Deterministic Chaos
  • Nonlinear Models

Literature:

  • H.J.C. Berendsen: Simulating the Physical World
  • D. Frenkel, B. Smit: Understanding Molecular Simulation
  • R. Zwanzig: Nonequilibrium Statistical Mechanics
  • N.G. van Kampen: Stochastic processes in Physics and Chemistry

Term paper winter semester 23/24: When Physics meets Biology

Prof. Dr. Jens Timmer, Prof. Dr. Gerhard Stock, PD Dr. Steffen Wolf

Time and Location: Tuesday 5:15 p.m., Seminar room, 10. floor

Start: 17.10.2023

Theoretische Physik III (Quantenmechanik)

Prof. Dr. Gerhard Stock

Montag, 10:00 - 12:00, Donnerstag, 10:00 - 12:00, HS I

1. Vorlesung: Montag, 17.04.2023

Übungen: Dr. Mathieu Pellen, Dr. Robin Brüser

Weiterführende Informationen: PDF mit Informationen zu Übungsgruppen, Ilias, Klausurterminen

Organisatorisches:

Inhalt

  • Einführung
  • Die Postulate der Quantenmechanik
  • Eindimensionale Systeme
  • Formalismus und Interpretation
  • Rotation und Drehimpuls
  • Das Zentralproblem
  • Näherungsmethoden
  • Mehrteilchensysteme

Einführende Literatur:

  • J. Pade: Quantenmechanik zu Fuß (Band 1/2)
  • T. Fließbach. Quantenmechanik

Classical Complex Systems

Prof. Dr. Gerhard Stock

Lecture in Advanced Theoretical Physics (9CP)

Monday, 10:00 - 12:00, Wednesday, 12:15 - 14:15, SR I

1. Lecture: Monday, 17.10.2022

Exercises (Computer Lab): Dr. Steffen Wolf

Synopsis

Recent advances in theoretical and computational sciences has made it possible to achieve a "first principles" description of complex phenomena, such as the dynamical properties of materials and the functional motion of biomolecules. To this end, the lecture aims to provide an introduction into basic computational strategies (such as molecular dynamics and Monte-Carlo simulations) as well as powerful statistical theories (such as Langevin and Master Equations). The lessions are accompanied by computer exercises, which provide an hands-on experience of the topics.

Preliminary Program

I. Introduction

  • First principles description
  • From quantum to classical mechanics
  • Statistical description and probability
  • Statistical mechanics in a nutshell
  • Emergent complexity of dynamics

II. Simulation Approach

  • Probability Distributions and Sampling
  • Molecular Dynamics and Monte-Carlo Simulations
  • Description of Time-dependent Phenomena

III. Theory of Open Systems

  • Langevin Equations
  • Fluctuation-Dissipation Theorem
  • Fokker-Planck Equations
  • Transition State Theory
  • Theory of Stochastic Processes
  • Master Equations

IV. Nonlinear Dynamics

  • Theory of Deterministic Chaos
  • Nonlinear Models

Literature:

  • H.J.C. Berendsen: Simulating the Physical World
  • D. Frenkel, B. Smit: Understanding Molecular Simulation
  • R. Zwanzig: Nonequilibrium Statistical Mechanics
  • N.G. van Kampen: Stochastic processes in Physics and Chemistry

Theoretische Physik III (Quantenmechanik)

Prof. Dr. Gerhard Stock

4 SWS: Montag, 10 - 12, Donnerstag, 12 - 14, HS I

Beginn: Montag, 25.04.2022

Übungen: Dr. Steffen Wolf

Ilias Infopage

Inhalt

  • Einführung
  • Die Postulate der Quantenmechanik
  • Eindimensionale Systeme
  • Formalismus und Interpretation
  • Rotation und Drehimpuls
  • Mehrteilchensysteme

Einführende Literatur:

  • J. Pade: Quantenmechanik zu Fuß (Band 1/2)
  • T. Fließbach. Quantenmechanik

Term paper summer semester 22: When Physics meets Biology

Prof. Dr. Jens Timmer, Prof. Dr. Gerhard Stock, PD Dr. Steffen Wolf

Time and Location: Monday 3:30 p.m., Seminar room, 10. floor

Start: 23.05.2022

Termpaper Webseite

Master Laboratory Applied Physics: Lab 12 - Simulating the non-equilibrium physics of biomolecular complexes

PD Dr. Steffen Wolf

Location: Physics high rise building, 10th floor

Duration: 2 days (computer experiment and data analysis only) Additional time for learning the theory and preparation of report

Availability: anytime (please contact S. Wolf via email)

Kompakte Fortgeschrittene Theoretische Physik (Quantenmechanik und Statistische Physik)

Prof. Dr. Gerhard Stock

Lehramt / Polyvalenter 2-Fach Bachelor (mit Lehramtsoption) (7 CP)

4 SWS: Montag und Dienstag 10 - 12, SR I bzw. via zoom

Beginn: Montag, 19.04.2021

Übungen: Dr. S. Wolf

Vorkenntnisse: Theoretische Physik I-II


Allgemeines

Diese Vorlesung speziell für Lehramtsstudierende ist für Studierende nach der neuen Prüfungsordnung (GymPO) eine Pflichtvorlesung. Empfohlen wird die Teilnahme im 4. Fachsemester. Studierende nach der alten Prüfungsordnung (WPO) können wahlweise die Theo IV oder diese Vorlesung hören. Nach dem aktuellen Modulhandbuch erhalten Sie nach erfolgreicher Teilnahme an dieser Vorlesung und den begleitenden Übungen einen Leistungsnachweis. Die Kriterien werden in der Vorlesung bzw. den Übungen bekannt gegeben. Für Studierende nach der alten Prüfungsordnung kann auch ein benoteter Schein ausgestellt werden.

Inhalt

Teil I. Quantenmechanik

  • Einführung
  • Die Postulate der Quantenmechanik
  • Eindimensionale Systeme
  • Das Zentralproblem
  • Formalismus, Phänomene und Interpretation

Teil II. Statistische Mechanik

  • Grundbegriffe der Thermodynamik
  • Wahrscheinlichkeitsrechnung
  • Entropie und Zustandssumme

Literatur:

  • T. Filk: Quantenmechanik (nicht nur) für Lehramtsstudierende
  • J. Pade: Quantenmechanik zu Fuß (Band 1/2)
  • R. Dreizler: Statistische Mechanik und Thermodynamik
  • W. Greiner: Thermodynamik und Statistische Mechanik

Simulating the Physical World

Prof. Dr. Gerhard Stock

Wahlpflichtfach Bachelor, Elective Subjects Master (9 CP)

4 SWS: Tuesday and Thursday 10 - 12, HS II

1. Lecture: Tuesday, 03.11.2020

Exercises (Computer Lab): Dr. S. Wolf

Due to the current Corona situation, lectures will be held online via Zoom. Please register at HISinOne and Ilias with a valid email address to obtain an invitation to the online lecture and access to the lecture script, lecture notes, exercise sheets and the online tutorial room.

Synopsis

Recent advances in theoretical and computational sciences have made it possible to achieve a "first principles" description of complex phenomena, such as the dynamical properties of materials and the functional motion of biomolecules. To this end, the lecture aims to provide an introduction into basic computational strategies such as molecular dynamics and Monte-Carlo simulations. The lessons are accompanied by computer exercises, which provide an hands-on experience of the topics.

Preliminary Program

I. Introduction

  • First principles description
  • From quantum to classical mechanics
  • Statistical description and probability
  • Statistical mechanics in a nutshell
  • Stochastic processes

II. Simulation Approach

  • Probability distributions and averages
  • Monte-Carlo method
  • Molecular dynamics simulations
  • Sampling problem
  • The force field
  • Time-dependent phenomena
  • Analysis techniques

III. Advanced Topics

  • Nonequilibrium simulations
  • Enhanced sampling techniques
  • Markov models

Literature:

  • D. Frenkel, B. Smit: Understanding Molecular Simulation
  • H.J.C. Berendsen: Simulating the Physical World

Biomolecular Dynamics

Prof. Dr. Gerhard Stock, Dr. Steffen Wolf

Wahlpflichfach Bachelor, Elective Subjects Master (9 CP)

4 SWS: Tuesday and Thursday 10 - 12, SR Westbau 2. Stock

1. Lecture: Tuesday, 12.05.2020

Exercises (Computer Lab, 2 SWS): Dr. S. Wolf

Lectures and Computer Labs will be given via Zoom. Please sign up at HISinOne and Ilias including your email, so we can invite you to the initial Zoom meeting on May 12th, 10:15.

Preliminary Program

I. Biomolecules

  • Building blocks of life
  • Structure of proteins
  • Statistical description and probability
  • Proteins in motion
  • Molecular Function

II. Classical and statistical mechanics

  • From quantum to classical mechanics
  • Statistical description and probability
  • Stochastic processes
  • Emergent complexity of dynamics

III. Computer simulations

  • What to calculate?
  • Monte-Carlo method
  • Molecular dynamics simulations
  • Sampling problem
  • The force field
  • Time-dependent phenomena
  • Analysis techniques

IV. Applications

  • The miracles of liquid water
  • Protein Folding
  • How do proteins recognize each other
  • Mutations and their consequences
  • Drugs at work

Literature:

  • I. Bahar, R. Jernigan, K. Dill: Protein Actions
  • D. Frenkel, B. Smit: Understanding Molecular Simulation
  • H.J.C. Berendsen: Simulating the Physical World
  • A.R. Leach: Molecular Modeling: Principles and Applications

Simulating the Physical World

Theoretische Physik I