730-0141/01 – Molecular modeling and nanomaterials design (MOLMOD)

Gurantor departmentNanotechnology centreCredits5
Subject guarantorprof. RNDr. Pavla Čapková, DrSc.Subject version guarantorprof. RNDr. Pavla Čapková, DrSc.
Study levelundergraduate or graduateRequirementCompulsory
Year1Semesterwinter
Study languageCzech
Year of introduction2007/2008Year of cancellation2009/2010
Intended for the facultiesUSPIntended for study typesFollow-up Master
Instruction secured by
LoginNameTuitorTeacher giving lectures
CAP01 prof. RNDr. Pavla Čapková, DrSc.
SIM75 doc. Ing. Gražyna Simha Martynková, Ph.D.
Extent of instruction for forms of study
Form of studyWay of compl.Extent
Full-time Credit and Examination 2+2

Subject aims expressed by acquired skills and competences

Review of potentiality of molecular modeling for design of supramolecular structures and nanocomposites.

Teaching methods

Summary

Teoretické základy molekulárního modelování s využitím empirických silových polí, tj. molekulární mechaniky a klasické molekulární dynamiky. Použití molekulární mechaniky a dynamiky v materiálovém výzkumu pro design nanomateriálů na bázi supramolekulárních nanosystémů a organo- anorganických hybridních nanostruktur. Součástí kurzu bude cvičení, kde na řadě příkladů z praxe bude strategie molekulárních simulací procvičena.

Compulsory literature:

COMBA, P., HAMBLEY, T.W.: Molecular Modeling of Inorganic Compounds, Weinheim, New York, Basel, Cambridge, Tokio, VCH, 1995; ČAPKOVÁ, P. a kol.: Interní učební texty v českém jazyce, připravované v rámci projektu TARP; FRENKEL, D., SMIT, B.: Understanding Molecular Simulations, Academic Press, 1999.

Recommended literature:

Way of continuous check of knowledge in the course of semester

E-learning

Other requirements

Prerequisities

Subject has no prerequisities.

Co-requisities

Subject has no co-requisities.

Subject syllabus:

Conditions for subject completion

Full-time form (validity from: 1960/1961 Summer semester)
Task nameType of taskMax. number of points
(act. for subtasks)
Min. number of points
Exercises evaluation and Examination Credit and Examination 100 (100) 51
        Exercises evaluation Credit 40 (40) 0
                Project Project 40  0
        Examination Examination 60 (60) 0
                Oral Oral examination 60  0
Mandatory attendence parzicipation:

Show history

Occurrence in study plans

Academic yearProgrammeField of studySpec.ZaměřeníFormStudy language Tut. centreYearWSType of duty
2009/2010 (N3942) Nanotechnology (3942T001) Nanotechnology P Czech Ostrava 1 Compulsory study plan
2008/2009 (N3942) Nanotechnology (3942T001) Nanotechnology P Czech Ostrava 1 Compulsory study plan
2007/2008 (N3942) Nanotechnology (3942T001) Nanotechnology P Czech Ostrava 1 Compulsory study plan

Occurrence in special blocks

Block nameAcademic yearForm of studyStudy language YearWSType of blockBlock owner