Course detail
Mathematical Applications in Chemistry I
FCH-BC_PCM1Acad. year: 2023/2024
The course deals with solving tasks using computer technology. Chosen topics of secondary school mathematics and subject Mathematics I (calculation of values of elementary functions, substitution into formulas, modification of terms, solution of nonlinear equations, systems of equations, graphs in 2D, differentials of real functions of one real variable, matrices, determinants) are taught and exercised using computer technology and applied to chemistry. Mathematical software MATLAB is used in lessons to solve tasks analytically, numerically and graphically.
Language of instruction
Number of ECTS credits
Mode of study
Guarantor
Entry knowledge
Rules for evaluation and completion of the course
Seminars will be held for two hours every two weeks in specialized IT classroom. Attendance on seminars is mandatory and will be checked. Lectures will be held two hours every two weeks. Attendance on lectures is recommended but not mandatory.
Aims
Knowledge, abilities and competence of students is expected to be seen in following areas:
a) using advanced methods to solve basic mathematical tasks quickly and easily
b) effectively solving practical tasks with applications in chemistry
c) ability to present solution with appropriate graphical representation in 2D
d) combining symbolic, numerical and graphical methods in their solutions
e) verifying solutions using alternative methods
f) creation of simple m-files, that solve given task with given input values
g) modification of existing m-files to solve different tasks
Study aids
Prerequisites and corequisites
Basic literature
POLCEROVÁ, Marie. MATLAB počítačová cvičení z matematiky pro chemické aplikace. Brno: Fakulta chemická, Vysoké učení technické v Brně, 2018. (CS)
Recommended reading
Elearning
Classification of course in study plans
- Programme BKCP_CHCHTE Bachelor's 1 year of study, winter semester, compulsory
- Programme BKCP_AAEFCH Bachelor's 1 year of study, winter semester, compulsory-optional
- Programme BPCP_AAEFCH Bachelor's 1 year of study, winter semester, compulsory-optional
- Programme BPCP_CHCHTE Bachelor's 1 year of study, winter semester, compulsory
- Programme BKCP_CHTM Bachelor's 1 year of study, winter semester, compulsory-optional
- Programme BPCP_CHTM Bachelor's 1 year of study, winter semester, compulsory-optional
- Programme BPCP_CHTOZP Bachelor's 1 year of study, winter semester, compulsory-optional
- Programme BKCP_CHTOZP Bachelor's 1 year of study, winter semester, compulsory-optional
- Programme BPCP_CHTPO Bachelor's
specialization CHPL , 1 year of study, winter semester, compulsory-optional
specialization PCH , 1 year of study, winter semester, compulsory-optional
specialization BT , 1 year of study, winter semester, compulsory-optional - Programme BKCP_CHTPO Bachelor's
specialization PCH , 1 year of study, winter semester, compulsory-optional
specialization BT , 1 year of study, winter semester, compulsory-optional
specialization CHPL , 1 year of study, winter semester, compulsory-optional - Programme BPCP_CHMA Bachelor's 1 year of study, winter semester, compulsory-optional
- Programme BPCP_CHTN Bachelor's 1 year of study, winter semester, compulsory
Type of course unit
Lecture
Teacher / Lecturer
Syllabus
Week 2: Seminar - Use of elementary functions in MATLAB
Week 3: Lecture - Calculations in chemistry, part 1 - analytical and numerical calculations
Week 4: Seminar - Test n. 1: Elementary functions in MATLAB
Week 5: Lecture - Calculations in chemistry, part 2 - non-linear equations
Week 6: Seminar - Calculations in chemistry
Week 7: Lecture - Graphs of functions in 2D, part 1 - course of a function
Week 8: Seminar - Test n. 2: Calculations in chemistry,
basics of graph creation
Week 9: Lecture - Graphs of functions in 2D, part 2
Week 10: Seminar - Course of a real function of one real variable
Week 11: Lecture - Use of differentials in chemistry, matrices, determinants
Week 12: Seminar - Test n. 3: Course of a function
Week 13: Lecture - Final lecture. Evaluation of achieved results in subject.
Computer-assisted exercise
Teacher / Lecturer
Elearning