Mathematical and Numerical Aspects of Electronic Structure Theory - Part IV of V
For Part I, see MS-Th-BC-50
For Part II, see MS-Th-D-50
For Part III, see MS-Th-E-50
For Part V, see MS-Fr-E-50

Date: August 14
Time: 13:30--15:30
Room: 207

(Note: Click title to show the abstract.)

Lin, Lin (Univ. of California at Berkeley)
Lu, Jianfeng (Duke Univ.)

Abstract: Electronic structure theory and first principle calculations are among the most challenging and computationally demanding science and engineering problems. This minisymposium aims at presenting and discussing new developments of mathematical analysis, and numerical methods for achieving ever higher level of accuracy and efficiency in electronic structure theory. This includes ground state and excited state density functional theory calculations, wavefunction methods, together with some of their applications in computational materials science and quantum chemistry. We propose to bring together experts on electronic structure theory, which include not only mathematicians, but also physicists working actively in the field.

Nonlinear Spinor Field: Multi-hump Waves and the Stability
Shao, Sihong (Peking Univ.)

An adaptive finite element framework for Kohn-Sham/time-dependent Kohn-Sham equation
Bao, Gang (Zhejiang Univ.)
Hu, Guanghui (Univ. of Macau)
Liu, Di (Michigan State Univ.)

Rapid iterative diagonalization of ill-conditioned eigenvalue problems in electronic structure calculations
CAI, YUNFENG (Peking Univ)
Bai, Zhaojun (Univ. of California, Davis)
Pask, John (LLNL)
Sukumar, N (UC Davis)

An intrinsically parallel algorithm for large-scale eigenvalue problems
Zhou, Yunkai (Southern Methodist Univ.)


Code: Type-Date-Time-Room No.
Type : IL=Invited Lecture, SL=Special Lectures, MS=Minisymposia, IM=Industrial Minisymposia, CP=Contributed Papers, PP=Posters
Date: Mo=Monday, Tu=Tuesday, We=Wednesday, Th=Thursday, Fr=Friday
Time : A=8:30-9:30, B=10:00-11:00, C=11:10-12:10, BC=10:00-12:10, D=13:30-15:30, E=16:00-18:00, F=19:00-20:00, G=12:10-13:30, H=15:30-16:00
Room No.: TBA