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- tensors: occurrence in quantum chemistry, reshape of a tensor and singular value decomposition<br>
 
- tensors: occurrence in quantum chemistry, reshape of a tensor and singular value decomposition<br>
 
- classical tensor formats:<br>
 
- classical tensor formats:<br>
- canonical tensors<br>
+
&nbsp;- canonical tensors<br>
 
- Tucker format<br>
 
- Tucker format<br>
 
- DMRG: tensor trains/matrix product states<br>
 
- DMRG: tensor trains/matrix product states<br>

Version du 14 février 2023 à 09:18

5th edition of the Mini-school on mathematics for theoretical chemistry and physics

(organized by GDR NBODY with support from CNRS INC, LCT, LJLL, and ERC EMC2)

Maths1.jpg

In the same spirit than the 1st edition, 2nd edition, 3rd edition, and 4th edition.


  • Date: 5-7 June 2023
  • Location: Sorbonne Université, Pierre et Marie Curie (or Jussieu) campus, 4 place Jussieu, 75005, Paris. Laboratoire Jacques-Louis Lions, tower/corridor 15-16, 3rd floor, room 309.


Presentation

  • The lectures delivered are intended to be of interest to any person working in the field of theoretical chemistry and physics and willing to discover or deepen some mathematical aspects of the field. Master and PhD students, post-docs and any academic are welcome!
  • To provide a detailed presentation of subjects, we have chosen to give a good amount of time to each lecturer. The mini-school will thus involve only two lecturers over a three-day period.

Program

Two courses will be proposed:

  • 1) Advanced and numerical linear algebra (9 hours) by Antoine Levitt, Laboratoire de Mathématiques d'Orsay, Université Paris-Saclay, Orsay.

Indicative program (subject to changes):

- Reminders in linear algebra
- Galerkin, projections, variational principles, resolutions of the identity, dual bases
- What not to do when solving linear and eigenvalue problems
- Convergence theory of Krylov methods
- Diagnosing convergence issues, with examples
- Error estimation and perturbation theory


  • 2) Old and new tensor methods for quantum chemistry (9 hours) by Mi-Song Dupuy, Laboratoire Jacques-Louis Lions, Sorbonne Université, Paris.

Indicative program (subject to changes):
- tensors: occurrence in quantum chemistry, reshape of a tensor and singular value decomposition
- classical tensor formats:
 - canonical tensors
- Tucker format
- DMRG: tensor trains/matrix product states
- why DMRG works?

  - Hastings area law for one-dimensional systems
- the reordering problem in quantum chemistry and the quantum mutual information

Schedule

Monday 5 June
Tower 15-16, room 309
Tuesday 6 June
Tower 15-16, room 309
Wednesday 7 June
Tower 15-16, room 309
8:45-9:00 Arrivals/Welcome
9:00-10:30 Lecture 9:00-10:30 Lecture 9:00-10:30 Lecture
10:30-10:45 Coffee break 10:30-10:45 Coffee break 10:30-10:45 Coffee break
10:45-12:15 Lecture 10:45-12:15 Lecture 10:45-12:15 Lecture
12:15-14:00 Lunch at L'Ardoise (Tower 25) 12:15-14:00 Lunch at L'Ardoise (Tower 25) 12:15-14:00 Lunch at L'Ardoise (Tower 25)
14:00-15:30 Lecture 14:00-15:30 Lecture 14:00-15:30 Lecture
15:30-15:45 Coffee break 15:30-15:45 Coffee break 15:30-15:45 Coffee break
15:45-17:15 Lecture 15:45-17:15 Lecture 15:45-17:15 Lecture

Practical details

Registration

If you want to participate, please register by sending an email at

minischool@lct.jussieu.fr

and indicate:
- your name and affiliation;
- whether you want to participate in group lunches the 3 days;
- whether you are a CNRS staff.

The number of participants is limited to 50.

To facilitate the participation of young researchers, no registration fees will be asked. However, accommodation will not be provided but must be arranged independently by the participants.


Location of the mini-school

The mini-school will take place on the Pierre et Marie Curie (or Jussieu) campus of Sorbonne Université, 4 place Jussieu, 75005 Paris.

Subway (Metro) lines 7 or 10: get off at "Jussieu" station.

From the main entrance of the campus, go to Tower 16. Take the stairs or the elevator to the third level. Find corridor 15-16, and then the room 309. This is the seminar room of Laboratoire Jacques-Louis Lions.

Lunches

Each day, lunch at Restaurant L'Ardoise (Jussieu campus, entrance near Tower 25) will be offered to a maximum 50 registered participants to the mini-school (see the list of registered participants on the page List of registered participants).

Arriving by Plane

Both Paris-Charles de Gaulle (CDG) and Paris-Orly international airports are connected to the center of Paris by RER (fast regional railway) or coaches. The RER is connected to the subway (Metro) network. It costs about 10 euros to go from either airport to the center of Paris and it takes about one hour.

For more information, check the Paris airports website.

From Paris-Charles de Gaulle (CDG) airport

From the airport take RER line B. Stop at "St-Michel-Notre-Dame" station. Take subway line 10 direction "Austerlitz" and stop at "Jussieu" station.

From Paris-Orly airport

From the airport take the monorail "OrlyVal" to "Antony". Take RER line B. Stop at "St-Michel-Notre-Dame" station. Take subway line 10 direction "Austerlitz" and stop at "Jussieu" station.

Arriving by Train

All the railway stations are in downtown Paris and are connected to the subway network. For train reservation, check the SNCF web site.

From any train station follow the sign "M" to the subway.

Arriving by Subway or Bus

For more information on the RER, Subway and Bus systems, check the RATP web site, and in particular the Subway and RER map.


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