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

Date: August 13
Time: 16:00--18:30
Room: 207

(Note: Click title to show the abstract.)

Organizer:
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.


MS-Th-E-50-1
16:00--16:30
Efficient spectral-element methods for electronic Schrodinger equation
Shen, Jie (Purdue Univ.)


MS-Th-E-50-2
16:30--17:00
Numeric atom-centered orbital based all-electron electronic structure theory for accurate, large simulations
Blum, Volker (Duke Univ.)


MS-Th-E-50-3
17:00--17:30
Hierarchical tensors and tensor networks for quantum chemistry
Schneider, Reinhold (Inst. for Mathematics)


MS-Th-E-50-4
17:30--18:00
A Mathematical Aspect of Hohenberg-Kohn Theorem
Zhou, Aihui (Acad. of Mathematics & Sys. Sci., Chinese Acad. of Sci.)


MS-Th-E-50-5
18:00--18:30
Compressed Modes and Compressed Density Matrices
Lai, Rongjie (Rensselaer Polytechnic Inst.)

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Footnote:
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