Achtung! Das Lehrangebot ist noch nicht vollständig und wird bis Semesterbeginn laufend ergänzt.
269019 VO Computational Concepts in Chemistry II (2021S)
Labels
An/Abmeldung
Hinweis: Ihr Anmeldezeitpunkt innerhalb der Frist hat keine Auswirkungen auf die Platzvergabe (kein "first come, first served").
Details
Sprache: Englisch
Prüfungstermine
Lehrende
Termine (iCal) - nächster Termin ist mit N markiert
Each week we will have both a theoretical and practical part.
- Donnerstag 29.04. 14:00 - 18:00 Digital
- Donnerstag 06.05. 14:00 - 18:00 Digital
- Donnerstag 20.05. 14:00 - 18:00 Digital
- Donnerstag 27.05. 14:00 - 18:00 Digital
- Donnerstag 10.06. 14:00 - 18:00 Digital
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 regular homework 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: Fr 12.05.2023 00:22
- Digital representation of chemical compounds and chemical reactions.
- Graph isomorphism problem and canonical labeling.
- Combinatorial chemistry.Stochastic methods and reaction kinetics:
- Stochastic processes, chemical master equation.
- Large reaction networks in homogeneous phase.
- Spatial inhomogeneities and diffusion processes.Chemical reaction networks as a formal language:
- Time and space complexity analysis of CRNs.
- CRN equivalence notions.
- Verified compilation from a formal CRN to a DNA reaction network.