Winter Term 2022/23

Tutorial to Numerical Methods for Quantum Dynamics

Lecturer

Prof. Dr. Ch. Lubich

Assistant

Jörg Nick

Exercise classes

every second Wednesday 10.15-12.00 in S08

News#

• 12.10.22: The tutorial homepage is now online. Throughout the semester, this site is actively updated.

Important Links#

• URM
• Alma

The exercise is every second wednesday from 10.15-12.00 in S08.#

Content of the Course#

The course gives an introduction into numerical methods for quantum dynamics and their analysis. It treats direct time and space discretizations of Schrödinger equations as well as discretizations of reduced models obtained from the Dirac-Frenkel time-dependent variational principle, in particular tensor-based methods and Gaussian-based methods. It is based on the book cited below and on more recent developments. The course assumes some basic knowledge of numerical analysis and of the Schrödinger equation on the part of the participants but is largely self-contained.

Registration#

• Students whose degrees are managed in Alma have to register for the exam and for the tutorials through the procedings there. This includes: B.Sc. PO 2017 and 2019, B.Ed. Gymnasium PO 2016 and 2018, B.Ed. Berufliche Schulen PO 2015 and 2018, B.Ed. Vorleistungen Erweiterungsfach PO 2019, M.Ed. Berufliche Schulen PO 2018, M.Ed. Erweiterungsfach PO 2020. All informations are without guarantee, if you are unsure consult the regulations specific to your degree.
• Please register in URM, so that we can estimate the overall demand for the course. If there is a problem with the registration, then send me an e-mail and we will sort it out.

Exercise sheets#

Every week, the exercise sheets are published here.

• Sheet 1
• Sheet 2
• Data for Prog. Ex. 2: x_equid.csv, noisy_signal.csv
• Sheet 3
• Sheet 4
• Sheet 6

Code from the Tutorials#

• Code written during the first tutorial: main_Sheet1.py

Tutorial date and procedure#

• The exercise date will be discussed in the first lecture (Tuesday 18.10.). As a preliminary date, we reserved a room every wednesday from 10-12, however this will likely change to suit the needs of the participants.
• The first exercise class will be in the week from the 24.10-28.10 . All participants will cross the exercises that have been solved by him/her at the start of the tutorial.
• The tutor chooses a participant to present each exercise among those students that have crossed the specific exercise. If a serious lack of understanding of the exercise is shown by the student, then all crosses on the current sheet are negated.
• Should the need arise, you can also send me a write-up as an exception, of course before the start of the exercise.
• Handing in as a team is not possible.
• There will also be programming exercises, which are discussed in the tutorials just as regular exercises are.
• Anybody who crosses at least half of the exercises is admitted to the exam.

Literature#

• Ch. Lubich. From Quantum to Classical Molecular Dynamics: Reduced Models and Numerical Analysis. European Math. Soc., 2008.

Contact person#

If you have any questions, write me (Jörg Nick) or visit me (C3P19).