9600-0008/01 – Particle Simulations (CAS)
| Gurantor department | IT4Innovations | Credits | 10 |
| Subject guarantor | prof. RNDr. René Kalus, Ph.D. | Subject version guarantor | prof. RNDr. René Kalus, Ph.D. |
| Study level | postgraduate | Requirement | Choice-compulsory |
| Year | | Semester | winter + summer |
| | Study language | Czech |
| Year of introduction | 2015/2016 | Year of cancellation | 2023/2024 |
| Intended for the faculties | USP, FEI | Intended for study types | Doctoral |
Subject aims expressed by acquired skills and competences
Upon the successful completion of the course, students will be able to actively use the concepts from the field of particle simulations, implement simulation models, perform numerical pseudoexperiments, and independently extend their acquired knowledge of this field.
Teaching methods
Lectures
Individual consultations
Summary
Students will acquire general knowledge of the most important methods for simulations of multiparticle systems and, according to their diploma thesis topic, they will focus on one of the four main areas: a) molecular dynamics methods (microcanonical and canonical ensembles, numerical integration of equations of motion), b) classical Monte Carlo methods (canonical, microcanonical, isothermal-isobaric, and grandcanonical MC methods), c) quantum Monte Carlo methods (variational, diffusion, and path-integral MC methods), and d) dynamical simulations (quasiclassical trajectory methods for adiabatic as well as non-adiabatic molecular dynamics, and quantum decoherence).
Compulsory literature:
Recommended literature:
Additional study materials
Way of continuous check of knowledge in the course of semester
Project elaboration and its presentation and defence, oral exam.
E-learning
Other requirements
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:
Students will acquire general knowledge of the most important methods for simulations of multiparticle systems and, according to their diploma thesis topic, they will focus on one of the four main areas: a) molecular dynamics methods (microcanonical and canonical ensembles, numerical integration of equations of motion), b) classical Monte Carlo methods (canonical, microcanonical, isothermal-isobaric, and grandcanonical MC methods), c) quantum Monte Carlo methods (variational, diffusion, and path-integral MC methods), and d) dynamical simulations (quasiclassical trajectory methods for adiabatic as well as non-adiabatic molecular dynamics, and quantum decoherence).
Conditions for subject completion
Occurrence in study plans
Occurrence in special blocks
Assessment of instruction
Předmět neobsahuje žádné hodnocení.