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Ab initio or first principle electronic structure theories, particularly represented by Kohn-Sham density functional theory (KS-DFT), have been developed into workhorse tools with a wide range of scientific applications in chemistry, physics, materials science, biology etc. What is needed are new techniques that greatly extend the applicability and versatility of these approaches. At the core, many of the challenges that need to be addressed are essentially mathematical. The purpose of the workshop is to provide graduate students a self-contained introduction to electronic structure theory, with particular emphasis on frontier topics in aspects of applied analysis and numerical methods.

Organizers: Lin Lin, Jianfeng Lu, James Sethian

Information at MSRI (including video of the lectures)

https://www.msri.org/summer_schools/778

Daily Schedule (updated every day)

7/18 Monday

09:00-09:15 Welcoming remarks by

David Eisenbud and James Sethian

09:15-10:30 Lecture. Spin

10:45-12:00 Lecture. Schrodinger equation

14:00-15:00 Problem session. Spin.

15:30-16:30 Problem session. (MATLAB) Rabi oscillation.

7/19 Tuesday

09:15-10:30 Lecture. Two spin-1/2 particles

10:45-12:00 Lecture. Schrodinger equation in the real space

14:00-15:00 Problem session. Examples of Schrodinger equation

15:30-16:30 Problem session. (MATLAB) Harmonic oscillator

7/20 Wednesday

09:15-10:30 Lecture. Hydrogen atom

10:45-12:00 Lecture. Identical particles

14:00-15:00 Guest lecture by Lin-Wang Wang

15:30-16:30 Problem session. (MATLAB) 3D hydrogen atom

Overall Schedule

08:30-09:00 Registration (first day only)

09:00-09:15 Welcoming remarks (first day only)

09:15-10:30 Lecture 1 (CRT-3101)

10:30-10:45 Break

10:45-12:00 Lecture 2 (CRT-3101)

12:00-14:00 Lunch Break

(LBNL Cafeteria, Bldg 54)

14:00-15:00 Problem session 1 /

Talk by guest speaker (CRT-3101)

15:00-15:30 Tea Break

15:30-16:30 Problem session 2 (CRT-3101)

The easiest way for everyone to arrive is to take the LBNL shuttle (Blue line uphill, link), get off at the first stop (Bldg 65) after passing the Blackberry Canyon Gate, and then walk to Bldg CRT as below (2 min walk). DO NOT take the orange line.

For most participants staying at the dorm at the foothill:

Option 1: Take the blue line shuttle uphill from the bus stop of Leroy (a.k.a. Cory Hall).

Option 2: Just walk uphill along the cyclotron road (15 min walk from the foothill dorm to Bldg CRT)

Note:

1. Parking space is not available by default for participants.

2. You need to present the printed LBNL pass to the driver (if you take the shuttle), or to the gatekeeper at the Blackberry Gate (if you walk).

If you have not received the LBNL pass, please email Nia Eteiwi (neteiwi@lbl.gov).

LBNL

Bldg CRT (a.k.a. Bldg 59), Room 3101

Lecture Room and How to arrive

Note taking: Please send note to linlin@math.berkeley.edu within three days of the lecture (for example, for lecture notes on Monday, please send in the note by Thursday)

7/29 (Friday) Poster session in the afternoon. Please send an email to linlin@math.berkeley.edu with your NAME, and TITLE of your poster by 7/25 (Monday).

7/26 (Tuesday) 3PM-5PM Visiting Advanced Light Source (ALS)

7/21 (Thursday) BBQ at MSRI and visiting MSRI. Free afternoon afterwards.