470-6405/01 – Classical and Quantum Monte Carlo Methods (KKMM-C)

Gurantor departmentDepartment of Applied MathematicsCredits10
Subject guarantordoc. RNDr. René Kalus, Ph.D.Subject version guarantordoc. RNDr. René Kalus, Ph.D.
Study levelpostgraduateRequirementChoice-compulsory
YearSemesterwinter + summer
Study languageCzech
Year of introduction2012/2013Year of cancellation
Intended for the facultiesUSPIntended for study typesDoctoral
Instruction secured by
LoginNameTuitorTeacher giving lectures
KAL0063 doc. RNDr. René Kalus, Ph.D.
VIT0060 Mgr. Aleš Vítek, Ph.D.
Extent of instruction for forms of study
Form of studyWay of compl.Extent
Full-time Examination 2+2
Combined Examination 10+0

Subject aims expressed by acquired skills and competences

Understand the principles of the Monte Carlo approach, master basic algorithms of classical and quantum Monte Carlo methods, be able to solve simple tasks of the material science via the Monte Carlo methods.

Teaching methods

Lectures
Individual consultations
Project work

Summary

Theoretical basics and practical applications of Mote Carlo methods in classical and quantum statistical thermodynamics, quantum dynamics of molecules, and quantum chemistry. Classical methods: - elements of classical statistical thermodynamics - intermolecular interactions - Markovian chains - Metropolis algorithm for various thermodynamical ensembles - advanced techniques for convergence acceleration, - pseudo-random numbres. Quantum methods: - elements of quantum theory and quantum statistical thermodynamics - quantum-classical isomorphism - path-integral Monte Carlo methods - variational principle and variational Monte Carlo methods - stationary Schrödinger equation and diffusion Monte Carlo methods

Compulsory literature:

[2] J. Grotendorst, D. Marx, A. (Eds.), Muramatsu, Quantum Simulations of Complex Systems: From Theory to Algorithms, Juelich, NIC Series vol. 10, 2002 (http://www2.fz-juelich.de/nic-series/volume10/volume10.html).

Recommended literature:

[6] B. L. Hammond, W. A. Lester, P. J. Reynolds, Monte Carlo Methods in Ab Initio Quantum Chemistry, World Scientific, London 1994. [7] M. P. Allen, D. J. Tildesley, Computer Simulation of Liquids, Oxford Univ. Press, Oxford 1987. [8] M. P. Nightingale, C. J. Umrigar, Quantum MC Methods in Physics and Chemistry, Kluwer, Dordrecht - London - Boston 1998.

Way of continuous check of knowledge in the course of semester

Project elaboration and its presentation and defence, oral exam.

E-learning

Další požadavky na studenta

Elaboration of a project as assigned at the beginning of the semester.

Prerequisities

Subject has no prerequisities.

Co-requisities

Subject has no co-requisities.

Subject syllabus:

Theoretical basics and practical applications of Mote Carlo methods in classical and quantum statistical thermodynamics, quantum dynamics of molecules, and quantum chemistry. Classical methods: - elements of classical statistical thermodynamics - intermolecular interactions - Markovian chains - Metropolis algorithm for various thermodynamical ensembles - advanced techniques for convergence acceleration, - pseudo-random numbres. Quantum methods: - elements of quantum theory and quantum statistical thermodynamics - quantum-classical isomorphism - path-integral Monte Carlo methods - variational principle and variational Monte Carlo methods - stationary Schrödinger equation and diffusion Monte Carlo methods

Conditions for subject completion

Full-time form (validity from: 2013/2014 Winter semester)
Task nameType of taskMax. number of points
(act. for subtasks)
Min. number of points
Examination Examination  
Mandatory attendence parzicipation:

Show history

Occurrence in study plans

Academic yearProgrammeField of studySpec.FormStudy language Tut. centreYearWSType of duty
2019/2020 (P3942) Nanotechnology (3942V001) Nanotechnology P Czech Ostrava Choice-compulsory study plan
2019/2020 (P3942) Nanotechnology (3942V001) Nanotechnology K Czech Ostrava Choice-compulsory study plan
2018/2019 (P3942) Nanotechnology (3942V001) Nanotechnology P Czech Ostrava Choice-compulsory study plan
2018/2019 (P3942) Nanotechnology (3942V001) Nanotechnology K Czech Ostrava Choice-compulsory study plan
2017/2018 (P3942) Nanotechnology (3942V001) Nanotechnology P Czech Ostrava Choice-compulsory study plan
2017/2018 (P3942) Nanotechnology (3942V001) Nanotechnology K Czech Ostrava Choice-compulsory study plan
2017/2018 (P3942) Nanotechnology K Czech Ostrava Choice-compulsory study plan
2016/2017 (P3942) Nanotechnology (3942V001) Nanotechnology P Czech Ostrava Choice-compulsory study plan
2016/2017 (P3942) Nanotechnology (3942V001) Nanotechnology K Czech Ostrava Choice-compulsory study plan
2015/2016 (P3942) Nanotechnology (3942V001) Nanotechnology P Czech Ostrava Choice-compulsory study plan
2015/2016 (P3942) Nanotechnology (3942V001) Nanotechnology K Czech Ostrava Choice-compulsory study plan
2014/2015 (P3942) Nanotechnology (3942V001) Nanotechnology P Czech Ostrava Choice-compulsory study plan
2014/2015 (P3942) Nanotechnology P Czech Ostrava Choice-compulsory study plan
2014/2015 (P3942) Nanotechnology (3942V001) Nanotechnology K Czech Ostrava Choice-compulsory study plan
2013/2014 (P3942) Nanotechnology (3942V001) Nanotechnology P Czech Ostrava Choice-compulsory study plan
2013/2014 (P3942) Nanotechnology (3942V001) Nanotechnology K Czech Ostrava Choice-compulsory study plan
2012/2013 (P3942) Nanotechnology (3942V001) Nanotechnology P Czech Ostrava Choice-compulsory study plan
2012/2013 (P3942) Nanotechnology (3942V001) Nanotechnology K Czech Ostrava Choice-compulsory study plan

Occurrence in special blocks

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