Oct 19, 2019   6:30 a.m. Kristián
Academic information system

Summary of topics offered - Institute of Physical Chemistry and Chemical Physics (FCFT)


Basic information

Type of work: Dissertation thesis
Topic: Teoretická predikcia fyzikálnych vlastností nových organických molekúl s potenciálnym využitím v optoelektronike
Title of topic in English: Theoretical prediction of physical properties of novel organic molecules with potential usage in optoelectronics
State of topic: approved (prof. Ing. Anton Gatial, DrSc., prof. Ing. Vladimír Lukeš, DrSc. - Chairperson of Departmental Board)
Thesis supervisor: prof. Ing. Vladimír Lukeš, DrSc.
Faculty: Faculty of Chemical and Food Technology
Supervising department: Department of Chemical Physics - IPC FCFT
Max. no. of students: 2
Academic year:2019/2020
Proposed by: prof. Ing. Vladimír Lukeš, DrSc.
Annotation: Štúdium organických molekúl s potenciálnym využitím v optoelektronike. Kvantovochemické výpočty budú realizované na rôznych úrovniach, t.j. ab initio a teórie funkcionálu elektrónovej hustoty. Na základe vyhodnotenia teoretických výsledkov sa budú hľadať trendy, ktoré umožnia pochopiť vzťahy medzi štruktúrou a požadovanými fyzikálnymi vlastnosťami.
Annotation in English: Study of organic molecules with potential usage in optoelectronics. The quantum chemical calculations will be performed at the different theoretical levels, , e.g. ab initio and Density Functional Theory (DFT). Based on these studies, the prediction and interpretation of the experiments will be performed.



Limitations of the topic

To sign up for a topic it is necessary to fulfil one of the following restrictions

Restrictions by study
The table shows restrictions by study to which the student has to be enrolled in order to sign up for the given topic.

Programme
D-TPTCxA Theoretical and Computational Chemistry
D-CHFxA Chemical Physics