Digital Chemistry

CHEMISTRY

Course of education

2022- 2024

Specialisation

Digital Chemistry

Type of study

Second-cycle studies / Master’s study

Mode of study

Full-time studies

Study profile

academic

During each semester, the student should obtain a minimum of 30 ECTS points from obligatory and optional classes (elective)

SEMESTER 1

subject

lecture

auditorium classes

laboratory classes

TOTAL

E/P

ECTS

Repetitory in mathematics

 

30

 

30

P

3

Repetitory in general and inorganic chemistry

 

30

 

30

P

3

Repetitory in organic chemistry and biochemistry

 

30

 

30

P

3

Introduction to digital chemistry

15

 

 

15

P

1

Introduction to Python programming

15

 

45

60

E

5

Quantum chemistry in practice

30

 

45

75

E

6

Exploratory analysis of multidimensional chemical space

30

 

45

75

E

7

Foreign language II

 

30

 

30

P

2

SEMESTER 1

90

120

135

345

3

30

 

In the first semester, students complete the obligatory extended HSE e-learning course - Decree no. 149/R/21 of the Rector of the University of Gdańsk of 11 October 2021 on obligatory training in health and safety of education for undergraduate and doctoral students of the University of Gdańsk

 

SEMESTER 2

subject

lecture

auditorium lasses

laboratory classes

TOTAL

E/P

ECTS

Introduction to R programming

15

 

45

60

E

5

Molecular mechanics & dynamics, coarse-grain modeling

30

 

45

75

E

6

Specialization lecture*:

Statistical mechanics in chemistry

Molecular descriptors

30

 

 

30

P

3

Graduate laboratory*

 

 

180

180

P

12

Facultative course I:

Parallel programming in Python

Data bases & big data

 

 

30

30

P

2

Facultative course II:

Microcontroller-based chemical diagnostics

Omics analysis in chemoinformatics

 

30

 

30

P

2

SEMESTER 2

75

30

300

405

2

30

YEAR I

165

150

435

750

5

60

 

 

SEMESTER 3

subject

lecture

auditorium lasses

laboratory classes

TOTAL

E/P

ECTS

Machine learning in chemistry

30

 

45

75

E

6

Interpersonal communication

15

 

 

15

P

1

The activities of the company in contemporary environment

30

 

 

30

P

2

MSc laboratory course*

 

 

180

180

P

10

MSc seminar

 

30

 

30

P

4

Monographic lecture*:

Modern quantum chemistry in use

Machine learning algorithms for small datasets

30

 

 

30

P

3

Facultative course III:

Insights into reaction mechanisms and kinetics via quantum chemistry methods

QSAR in toxicology

 

 

30

30

P

2

Facultative course IV:

Statistical mechanics of biological macromolecules

Advanced nanoiformatics

 

30

 

30

P

2

SEMESTER 3

105

60

255

420

1

30

 

SEMESTER 4

subject

lecture

auditorium lasses

laboratory classes

TOTAL

E/P

ECTS

Economic activity law

30

 

 

30

P

2

MSc laboratory course*

 

 

190

190

P

10

MSc seminar*

 

30

 

30

P

4

Monographic lecture*:

Electronic structure of molecular anions

Computational nanomedicine and nanotoxicology

30

 

 

30

P

3

Facultative course V:

Numerical methods with agroithms for physical sciences

Computationally added drug design

 

 

30

30

P

2

Facultative coyrse VI:

Chemical bonding via quantum chemistry tools

Computational methods for designing advanced materials

 

30

 

30

P

2

MSc exam

E

7

SEMESTER 4

60

60

220

340

1

30

YEAR II

165

120

475

760

2

60

ATTENTION: Colours refer to two blocks of methods: (i) physics-based methods and (ii) data-based (chemoinformatics) methods

E – exam

P – pass with note

*classes conducted at the Department, where the student is doing his master’s thesis

 

Second-cycle studies  end with master’s examination and obtaining the professional title of master’s degree.

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Submitted on Thursday, 11. May 2023 - 11:02 by Andrzej Nowacki Changed on Sunday, 14. May 2023 - 20:09 by Andrzej Nowacki