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[ 461GACTCP2V23 ] VL (*)Computational Physics II
Versionsauswahl
(*) Leider ist diese Information in Deutsch nicht verfügbar.
Workload Ausbildungslevel Studienfachbereich VerantwortlicheR Semesterstunden Anbietende Uni
3 ECTS M2 - Master 2. Jahr Physik Robert E. Zillich 2 SSt Johannes Kepler Universität Linz
Detailinformationen
Quellcurriculum Masterstudium Physics 2025W
Lernergebnisse
Kompetenzen
(*)Upon successful completion of the course, students are able to demonstrate a comprehensive understanding of simulation methods in physics (listed below), and can apply these methods. They are able to write computer programs to solve many-body problems from classical and quantum physics.

This lecture is building on topics introduced in the lecture and exercise Computational Physics I. It is methodologically complemented by the exercise Computational Physics II.

Fertigkeiten Kenntnisse
(*)Upon completing the course, students will possess the following skills. They are able to

  • understand mathematical derivations and formulations of numerical methods required for computer simulations (k2);
  • implement simulation methods in algorithms and computer programs (k3);
  • assess the numerical accuracy of the simulation methods and identify possible error sources (k4/k5);
  • describe, compare and distinguish the properties of different algorithms for many-body simulations, identifying their unique characteristics and common underlying principles (k2-k5).
(*)During the course, students will acquire knowledge about numerical techniques concerning:

  • symplectic integrators for Newton’s equation of motion;
  • force fields and their efficient calculation;
  • molecular dynamics simulations within different ensembles;
  • diffusion, rare events (optional), autocorrelations and the fluctuation dissipation theorem;
  • Markov processes and the Metropolis algorithm;
  • Monte Carlo simulation methods for classical statistical mechanics in different ensembles;
  • quantum Monte Carlo methods for ground state and finite temperature simulations (optional).
Beurteilungskriterien (*)Evaluation criteria will be announced at the beginning of the semester.
Lehrmethoden (*)lecture on fundamental concepts of simulation methods with derivations and their implementation by algorithms/in computer codes
Abhaltungssprache Englisch
Literatur (*)M. P. Allen & D. J. Tildesley "Computer Simulations of Liquids", Oxford Science Pub.
D. Frenkel & B. Smit "Understanding Molecular Simulation", Academic Press
R. Guardiola in "Microscopic Quantum Many-Body Theories and their Applications", Lecture Notes in Physics, Springer
B. L. Hammond et al. "Monte Carlo Methods in Ab Initio Quantum Chemistry", World Scientific Pub.
Lehrinhalte wechselnd? Nein
Frühere Varianten Decken ebenfalls die Anforderungen des Curriculums ab (von - bis)
TPMWTVOCOP2: VO Computational Physics II (2010S-2023S)
Präsenzlehrveranstaltung
Teilungsziffer -
Zuteilungsverfahren Direktzuteilung