269019 VO Computational Concepts in Chemistry II (2022S)
Labels
An/Abmeldung
Hinweis: Ihr Anmeldezeitpunkt innerhalb der Frist hat keine Auswirkungen auf die Platzvergabe (kein "first come, first served").
Details
Sprache: Englisch
Prüfungstermine
Donnerstag
23.06.2022
Dienstag
19.07.2022
Donnerstag
06.10.2022
14:00 - 16:00
Ort in u:find Details
Donnerstag
15.12.2022
Donnerstag
02.02.2023
Lehrende
Termine
Termine:
Do, 24.03.22
Do, 07.04.22
Do, 05.05.22
Do, 19.05.22
Do, 02.06.22
jeweils 14:00 - 18:00
Information
Ziele, Inhalte und Methode der Lehrveranstaltung
Art der Leistungskontrolle und erlaubte Hilfsmittel
Preferred: students are graded based on participation, homework and a final presentation. Alternative: an oral exam at the end of the semester.
Mindestanforderungen und Beurteilungsmaßstab
For a positive grade, a student must develop a basic understanding and the ability to explain the main points of lecture material from 4 of the 5 dates. Active participation and a final presentation of homework solutions can be sufficient for getting the final grade.A student who takes an oral exam has to explain the covered abstract chemical problems and connect them to appropriate computational concepts. Homework problems will likely be part of the final exam.
Prüfungsstoff
A mix of lecture and practical exercises.
Literatur
Literature will be provided after the lectures on the elearning platform.
Zuordnung im Vorlesungsverzeichnis
CO-CHE2
Letzte Änderung: Do 11.05.2023 11:28
- Digital representation of chemical compounds and chemical reactions.
- Graph isomorphism problem and canonical labeling.
- Reactions as graph rewrite rules.
- Combinatorial chemistry.Stochastic methods and reaction kinetics:
- Formal properties of chemical reaction networks
- Stochastic processes, chemical master equation.
- Large reaction networks in homogeneous phase.Chemical reaction networks as a formal language:
- CRNs as a model of computation.
- Rate-independent computation.
- Steady-state circuits.
- Dual-rail systems.
- CRN equivalence notions.Implementing chemical reaction networks:
- DNA as a substrate for chemical kinetics.
- DNA strand displacement systems.
- Reaction enumeration and condensation.
- Compilation from CRN to DNA.