Optimization Working Group XII: Optimization for Electronic Structure Models

Group Leaders: Jianfeng Lu

SAMSI Webmaster: To Be Determined

Weekly Meetings: SAMSI Room 203; Wednesdays 2:00-4:00pm ET

Description: Electronic structure models have become a scientific workhorse for many applications in physics, chemistry, materials science and related fields. From the aspect of numerical computation, the main bottleneck is to solve a nonlinear optimization problem for the ground state energy. This working group aims to explore modern optimization techniques with applications in accelerating the computation for electronic structure models.

News and Updates:

SAMSI Directorate Liaison: Ilse Ipsen

Program on Optimization