Monographic lecture 1. Advanced numerical methods in materials modelling Field of study: Materials Science and Engineering
Programme code: W4-S2MAI19.2025

Module name: Monographic lecture 1. Advanced numerical methods in materials modelling
Module code: IM2A_WM1_MMM
Programme code: W4-S2MAI19.2025
Semester: winter semester 2026/2027
Language of instruction: Polish
Form of verification: course work
ECTS credits: 2
Purpose and description of the content of education:
The module Advanced numerical methods in materials modelling shall enable students learning issues of using a classical molecular dynamics method in simulations of physical phenomena and processes. Owing to learning specialised numerical methods used in LAMMPS and AtomEye software students shall understand benefits and limitations of a classical molecular dynamics method in testing properties and designing new materials. The accomplishment of the above objective will require learning a number of issues from the field of numerical methods used in computer simulations by the molecular mechanics method, such as: Verlet algorithms, Berendesen algorithm for temperature and pressure control of the simulated physical system, slip vector method or computation of internal stresses field used during the analysis of simulation results.
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]
Knowledge of numerical methods used in materials modelling based on a classical molecular dynamics. [IM2A_WM1_MMM_1]
 IM2A_W01 [3/5]
Knowledge of selected numerical methods used to analyse simulation results. [IM2A_WM1_MMM_2]
 IM2A_W02 [3/5]
The skill to use computational capabilities of LAMMPS software and AtomEye software to visualise simulation results. [IM2A_WM1_MMM_3]
 IM2A_U04 [3/5]
Form of teaching Number of hours Methods of conducting classes Assessment of the learning outcomes Learning outcomes
lecture [IM2A_WM1_MMM_fs_1] 30 Formal lecture/ course-related lecture [a01] 
Problem-based lecture [b01] 
Screen presentation [c07]  		course work IM2A_WM1_MMM_1 IM2A_WM1_MMM_2 IM2A_WM1_MMM_3
The student's work, apart from participation in classes, includes in particular:
Name Category Description
Search for materials and review activities necessary for class participation [a01] Preparation for classes
reviewing literature, documentation, tools and materials as well as the specifics of the syllabus and the range of activities indicated in it as required for full participation in classes
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)
Determining the stages of task implementation contributing to the verification of learning outcomes [c01] Preparation for verification of learning outcomes
devising a task implementation strategy embracing the division of content, the range of activities, implementation time and/or the method(s) of obtaining the necessary materials and tools, etc.
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
Development of a corrective action plan as well as supplementary/corrective tasks [d02] Consulting the results of the verification of learning outcomes
reviewing and selecting tasks and activities enabling the elimination of errors indicated by the academic teacher, their verification or correction resulting in completing the task with at least the minimum passing grade
Attachments
Module description (PDF)
Information concerning module syllabuses might be changed during studies.
Syllabuses (USOSweb)
Semester Module Language of instruction
(no information given)