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Xiaoying Dai - Convergent orthogonality preserving appoximations of the Kohn-Sham orbitals
Presenter
- Xiaoying Dai
May 5, 2022
IPAM
Virginie Ehrlacher - Multi-center decomposition of molecular densities: a mathematical perspective
Presenter
- Virginie Ehrlacher
May 4, 2022
IPAM
Filippo Lipparini - Black-box optimization of self-consistent field wavefunction, closed/open shells
Presenter
- Filippo Lipparini
May 5, 2022
IPAM
Emmanuel Giner - Curing basis set convergence of WFT w/ DFT: overview of framework and some results
Presenter
- Emmanuel Giner
May 3, 2022
IPAM
Stefano Baroni - estimate transport coefficients from short equilibrium molecular-dynamic simulation
Presenter
- Stefano Baroni
May 6, 2022
IPAM
Mi-Song Dupuy - Sparse and symmetry-preserving compression of matrix product operators
Presenter
- Mi-Song Dupuy
May 4, 2022
IPAM
Julien Toulouse - Basis-set correction based on density-functional theory
Presenter
- Julien Toulouse
May 2, 2022
IPAM
Amartya Banerjee - Electronic Structure Calculations of Chiral Matter
Presenter
- Amartya Banerjee
May 3, 2022
IPAM