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Computer chemistry


Some basic information about the module

Cycle of education:
2022/2023
The name of the faculty organization unit:
The faculty Chemistry
The name of the field of study:
Chemical Technology
The area of study:
technical sciences
The profile of studing:
The level of study:
second degree study
Type of study:
past time
discipline specialities :
Chemical analysis in industry and environment, Engineering of polymer materials, Organic and polymer technology , Product and ecological process engineering, Technology of medicinal products
The degree after graduating from university:
Master of Science (MSc)
The name of the module department :
Department of Biochemistry and Bioinformatics
The code of the module:
10517
The module status:
mandatory for teaching programme Chemical analysis in industry and environment, Engineering of polymer materials, Organic and polymer technology , Product and ecological process engineering, Technology of medicinal products
The position in the studies teaching programme:
sem: 1 / L9 / 1 ECTS / Z
The language of the lecture:
Polish
The name of the coordinator 1:
Barbara Dębska, DSc, PhD, Eng.
The name of the coordinator 2:
Grzegorz Fic, PhD, Eng.
semester 1:
Lucjan Dobrowolski, PhD, Eng.

The aim of studying and bibliography

The main aim of study:
The student obtains knowledge on computer-aided research in chemistry.

The general information about the module:
Module is realized in the dimension 9 hours laboratory.

Teaching materials:
Materiały dydaktyczne dostępne w witrynie e-chemia.pl oraz portalu ZICh PRz

Bibliography required to complete the module
Bibliography used during classes/laboratories/others
1 G. Fic, B. Guzowska-Świder, L.Dobrowolski Instrukcje laboratoryjne do ćwiczeń z informatyki chemicznej on-line, portal ZIChPrz, e-chemia.pl. 2016
Bibliography to self-study
1 Z.S. Hippe Zastosowanie metod sztucznej inteligencji w chemii PWN, Warszawa. 1993

Basic requirements in category knowledge/skills/social competences

Formal requirements:

Basic requirements in category knowledge:
basic knowledge of organic chemistry, instrumental analysis, physical chemistry

Basic requirements in category skills:
computer skills - MS Windows, the ability to search for information on the Internet.

Basic requirements in category social competences:
Ability to work individually and in a team of 2-3 persons.

Module outcomes

MEK The student who completed the module Types of classes / teaching methods leading to achieving a given outcome of teaching Methods of verifying every mentioned outcome of teaching Relationships with KEK Relationships with PRK
MEK01 is able to efficiently search for and retrieve information from chemical databases. laboratory test, written report K-U01+++
P7S-UW
MEK02 is able to use specialized computer programs to perform the tasks of engineering and support research in the field of chemical technology. laboratory test, written report K-W03++
K-U07++
P7S-UW
P7S-WG
MEK03 is able to visualize chemical structures and chemical information. laboratory observation of the task performance K-W03+
K-U07+
P7S-UW
P7S-WG
MEK04 is able to use computer programs to identify organic compounds. laboratory test, written report K-W03+
K-U07+
P7S-UW
P7S-WG

The syllabus of the module

Sem. TK The content realized in MEK
1 TK01 Representation and 3D visualisation of chemical and biopolymer structures L02 MEK02 MEK03
1 TK02 Application of spectral databases in chemical compounds identification L01 MEK02 MEK04
1 TK03 Strategy of searching chemical databases L03 MEK01

The student's effort

The type of classes The work before classes The participation in classes The work after classes
Laboratory (sem. 1) The preparation for a Laboratory: 4.00 hours/sem.
The preparation for a test: 9.00 hours/sem.
contact hours: 9.00 hours/sem.
Finishing/Making the report: 5.00 hours/sem.
Advice (sem. 1)
Credit (sem. 1) The written credit: 1.00 hours/sem.

The way of giving the component module grades and the final grade

The type of classes The way of giving the final grade
Laboratory
The final grade Final grade (K): K= w L, L- positive evaluation of the lab; w - factor related to the time of credit, w= 1,0 first term, w = 0,9 second term , w = 0,8 third term.

Sample problems

Required during the exam/when receiving the credit
(-)

Realized during classes/laboratories/projects
(-)

Others
(-)

Can a student use any teaching aids during the exam/when receiving the credit : no

The contents of the module are associated with the research profile yes

1 J. Buczkowicz; T. Drzazga; G. Fic; M. Jaromin; P. Krajewski; P. Matysik; R. Mazur; P. Milczarski; T. Sikora; M. Szeliga; D. Tyrka; M. Tyrka; E. Witkowski Selekcja genomowa pszenicy ozimej 2021