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Advanced Simulations in Many-particle Physics - NTMF024

Title:	Pokročilé simulace ve fyzice mnoha částic
Guaranteed by:	Institute of Theoretical Physics (32-UTF)
Faculty:	Faculty of Mathematics and Physics
Actual:	from 2024
Semester:	summer
E-Credits:	3
Hours per week, examination:	summer s.:2/0, Ex [HT]
Capacity:	unlimited
Min. number of students:	unlimited
4EU+:	no
Virtual mobility / capacity:	no
State of the course:	taught
Language:	Czech, English
Teaching methods:	full-time
Additional information:	http://utf.mff.cuni.cz/vyuka/NTMF024

Guarantor:	doc. RNDr. Karel Houfek, Ph.D. doc. RNDr. Milan Předota, Ph.D.
Teacher(s):	doc. RNDr. Karel Houfek, Ph.D. doc. RNDr. Milan Předota, Ph.D.
Classification:	Physics > Theoretical and Math. Physics
Comes under:	Doporučené přednášky 1/2
Co-requisite :	NTMF021

Opinion survey results Examination dates SS schedule Noticeboard

Annotation -

Advanced Monte Carlo and molecular dynamics methods, their application to critical, nonequilibrium and quantum systems: cluster algorithms for lattice models, transport coefficients, kinetic MC, quantum Monte Carlo, simulations from the first principles. Suitable for the 1st and 2nd year of master's studies and for doctoral students in the fields of theoretical physics and mathematical modeling.

Last update: Houfek Karel, doc. RNDr., Ph.D. (13.05.2022)

Course completion requirements - Czech

Ústní zkouška

Last update: Houfek Karel, doc. RNDr., Ph.D. (11.06.2019)

Literature -

I. Nezbeda, J. Kolafa, M. Kotrla, Úvod do počítačových simulací: Metody Monte Carlo a molekulární dynamiky, Karolinum 2003.

D. Landau a K. Binder, A Guide to Monte Carlo Simulations in Statistical Physics, Cambridge University Press 2002.

M.E.J. Newman, G.T. Barkema, Monte Carlo Methods in Statistical Physics, Oxford University Press, 1999.

D. Frenkel, B. Smit, Understanding molecular simulation, Academic Press, San Diego, USA 2002.

Last update: Houfek Karel, doc. RNDr., Ph.D. (23.01.2025)

Requirements to the exam - Czech

Zkouška je ústní, požadavky odpovídají sylabu, v detailech pak tomu, co bylo během semestru odpřednášeno.

Last update: Houfek Karel, doc. RNDr., Ph.D. (11.06.2019)

Syllabus -

Phase transitions and critical phenomena
Methods of inserting particles, Gibbs ensemble, phase equilibrium, critical temperature by scaling with a system size, critical slowing down, cluster algorithms for spin models.

Simulation of realistic systems
Long-range forces, Ewald summation, simulation of molecular systems, methods conserving bond length and angles, phase equilibrium.

Special algorithms and techniques
Random number generation, multispin coding for Ising model and cellular automata, multiscale simulations.

Non-equilibrium systems close to equilibrium
Calculation of kinetic coefficients, time correlation functions, Einstein relation, non-equilibrium MD, self-diffusion in lattice gas, equilibrium and con-equilibrium calculation of viscosity and dielectric constant.

Quantum simulations
Variational quantum MC, diffuse MC, canonical quantum MC, isomorphism of quantum and classical systems, sign problem, first principle calculations, method of density functional.

Last update: Houfek Karel, doc. RNDr., Ph.D. (23.01.2025)