MINI-SCHOOL 2018

2nd Mini-school on mathematics in electronic structure theory of GDR CORREL

• Date: 16-18 April 2018

• Location: Université Pierre et Marie Curie (UPMC), Jussieu campus, 4 place Jussieu, 75005, Paris.

• Lecturers: Tony Lelièvre and Eric Cancès

• Organizers: Michel Caffarel, Eric Cancès, Emmanuel Fromager, Julien Toulouse. email contact

Presentation

• The lectures delivered are intended to be of interest to any person working in the field of electronic structure theory and willing to discover or deepen the mathematical aspects of the methods. 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 workshop will thus involve only two lecturers over a three-day period.

Program

Two courses will be proposed:

• 1) Stochastic methods for electronic structure theory and molecular dynamics (9 hours) by Tony Lelièvre, Ecole des Ponts and INRIA, Paris, France.

Indicative program (subject to changes and extension):

- Introduction to stochastic models and numerical methods: Random variables, Monte Carlo methods, Markov chains, Stochastic Differential Equations and links with partial differential equations, etc.
- Applications to molecular dynamics: Free energy calculations, Simulation of rare event, Accelerated dynamics, etc.

• 2) Fourier and Laplace transforms, and applications (9 hours) by Eric Cancès, Ecole des Ponts and INRIA, Paris, France

Indicative program (subject to changes and extension):

- Fourier and Laplace transforms of functions and distributions
- Fast Fourier transform (FFT)
- Applications in physics and chemistry: electrostatics, linear response theory, Green’s function methods, etc.

Schedule

Monday 16 April Tower 15-16, room 309	Tuesday 17 April Tower 15-16, room 309	Wednesday 18 April Tower 15-16, room 309
8:45-9:00 Arrivals/Welcome
9:00-10:30 Lecture 1	9:00-10:30 Lecture 5	9:00-10:30 Lecture 9
10:30-10:45 Coffee break	10:30-10:45 Coffee break	10:30-10:45 Coffee break
10:45-12:15 Lecture 2	10:45-12:15 Lecture 6	10:45-12:15 Lecture 10
12:15-14:00 Lunch	12:15-14:00 Lunch	12:15-14:00 Lunch
14:00-15:30 Lecture 3	14:00-15:30 Lecture 7	14:00-15:30 Lecture 11
15:30-15:45 Coffee break	15:30-15:45 Coffee break	15:30-15:45 Coffee break
15:45-17:15 Lecture 4	15:45-17:15 Lecture 8	15:45-17:15 Lecture 12

Practical details

Location of the mini-school

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

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

Registration fees

To facilitate the participation of young researchers, no registration fees will be asked.

Lunches

12:15-14:00. If possible, lunch will be offered to all registered participants to the mini-school.

See the list of registered participants on the page List of registered people

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.