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

Date: August 13
Time: 10:00--12:00
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.

Large-scale real-space electronic structure calculations
Gavini, Vikram (Univ. of Michigan)

Solving the Kohn-Sham eigenproblem within a common library approach to software development in electronic structure
Corsetti, Fabiano (CIC nanoGUNE)

Numerical approaches for solving the optimal transport problem in the strong-interaction limit of density functional theory
Mendl, Christian (Stanford Univ.)

Sparse Correction for Coupled Cluster Calculations
Yang, Chao (Lawrence Berkeley National Laboratory)


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