Session Code: U
Minisymposium Title: Mathematics and Algorithms for Ground State Electronic Structure Theory
Minisymposium Description: 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 ground state electronic structure theory. We bring together experts on electronic structure theory, which include not only mathematicians, but also physicists working actively in the field.
Minisymposium Organizer: Lin Lin, Princeton University, USA, Jianfeng Lu, New York University, USA, Gero Friesecke, Technische Universität München, Germany
Speakers:
Eric Cances, Ecole des Ponts and Inria, France-Mathematical Modeling of Multilayer 2D Materials
Emil Prodan, Yeshiva University, USA-Computing the Response Functions of Disordered Solids
Xiantao Li, Pennsylvania State University, USA-A Qm/mm Model for Material Interfaces
Amartya Banerjee-First Principles Calculations of Objective Structures
Francois Gygi, University of California, Davis, USA-Acceleration of Hybrid Density Functional Computations Using Recursive Subspace Bisection
Yvon Maday, Université Pierre et Marie Curie, France-TBD
Volker Blum-Algorithms for Large-Scale All-Electron Density Functional Theory and Beyond
Luigi Genovese-The Flexibility of Daubechies Wavelets for Electronic Structure Calculations
Vikram Gavini, University of Michigan, USA -Large-Scale Real-Space All-Electron Kohn-Sham Dft Calculations
Reinhold Schneider-Tensor Networks and Related Representation for Electronic Schrodinger Equation
Huajie Chen-Pair Densities in Density Functional Theory
Simen Kvaal-TBA
