Set of Diploma Courses I: Computer Simulations Field of study: Physics
Programme code: W4-S2FZA22.2025

Module name: Set of Diploma Courses I: Computer Simulations
Module code: W4-FZ-NM-S2-2-22-20
Programme code: W4-S2FZA22.2025
Semester: summer semester 2025/2026
Language of instruction: English
Form of verification: course work
ECTS credits: 3
Purpose and description of the content of education:
Laboratory classes conducted in the form of workshops during which students will learn about the following issues: - Inter-atomic interactions - Initial configuration, elimination of total momentum of the system, reduced units, control parameters in the stage of equilibration of the system - Periodic boundary conditions, convention of the nearest images, spherical truncation - Newton equations of motion for atomic systems, methods of solving differential equations, forces and shifted potential. - Simple thermodynamic averages (energy, temperature, pressure) - Structural properties (binary distribution function, static structure factor), long-range corrections of potential energy and pressure - Time correlation functions, correlation times and transport coefficients - Molecular dynamics for various statistical groups Students receive a description (in electronic form) of issues related to the content of the classes, which are discussed during the classes. The acquired knowledge is used to develop a computer program to simulate the molecular dynamics of the atomic system. The module is optional. Students will select two of four proposed modules.
List of modules that must be completed before starting this module (if necessary): not applicable
Learning outcome of the module Codes of the learning outcomes of the programme to which the learning outcome of the module is related [level of competence: scale 1-5]
has a basic knowledge of molecular dynamics simulation [E1]
 KF_W07 [5/5]
knows the structure, principle of operation and the scope of application of molecular dynamics simulation programs [E2]
 KF_W07 [4/5]
can identify the advantages and limitations of the molecular dynamics simulation method [E3]
 KF_W04 [4/5]
can write implementations of selected procedures and functions used in simulation of molecular dynamics [E4]
 KF_U02 [4/5]
is able to independently prepare the study results [E5]
 KF_U11 [4/5]
Form of teaching Number of hours Methods of conducting classes Assessment of the learning outcomes Learning outcomes
lecture [FZ1] 10 Formal lecture/ course-related lecture [a01]  course work E1 E2
laboratory classes [FZ2] 20 Working with a computer [d01]  course work E3 E4 E5
The student's work, apart from participation in classes, includes in particular:
Name Category Description
Literature reading / analysis of source materials [a02] Preparation for classes
reading the literature indicated in the syllabus; reviewing, organizing, analyzing and selecting source materials to be used in class
Developing practical skills [a03] Preparation for classes
activities involving the repetition, refinement and consolidation of practical skills, including those developed during previous classes or new skills necessary for the implementation of subsequent elements of the curriculum (as preparation for class participation)
Getting acquainted with the syllabus content [b01] Consulting the curriculum and the organization of classes
reading through the syllabus and getting acquainted with its content
Studying the literature used in and the materials produced in class [c02] Preparation for verification of learning outcomes
exploring the studied content, inquiring, considering, assimilating, interpreting it, or organizing knowledge obtained from the literature, documentation, instructions, scenarios, etc., used in class as well as from the notes or other materials/artifacts made in class
Implementation of an individual or group assignment necessary for course/phase/examination completion [c03] Preparation for verification of learning outcomes
a set of activities aimed at performing an assigned task, to be executed out of class, as an obligatory phase/element of the verification of the learning outcomes assigned to the course
Analysis of the corrective feedback provided by the academic teacher on the results of the verification of learning outcomes [d01] Consulting the results of the verification of learning outcomes
reading through the academic teacher’s comments, assessments and opinions on the implementation of the task aimed at checking the level of the achieved learning outcomes
Attachments
Module description (PDF)
Information concerning module syllabuses might be changed during studies.
Syllabuses (USOSweb)
Semester Module Language of instruction
(no information given)