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Markus Reiher - Uncertainty Quantification of Quantum Chemical Methods
Presenter
- Markus Reiher
May 6, 2022
IPAM
Genevieve Dusson - Error bounds for properties in planewave electronic structure calculations
Presenter
- Genevieve Dusson
May 6, 2022
IPAM
Stefano Baroni - estimate transport coefficients from short equilibrium molecular-dynamic simulation
Presenter
- Stefano Baroni
May 6, 2022
IPAM
Filippo Lipparini - Black-box optimization of self-consistent field wavefunction, closed/open shells
Presenter
- Filippo Lipparini
May 5, 2022
IPAM
Julia Contreras-García - Math-chimie: developing approaches for predicting new superconductors
Presenter
- Julia Contreras-García
May 5, 2022
IPAM
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
Mi-Song Dupuy - Sparse and symmetry-preserving compression of matrix product operators
Presenter
- Mi-Song Dupuy
May 4, 2022
IPAM
Huajie Chen - Convergence of the Planewave Approximations for Quantum Incommensurate Systems
Presenter
- Huajie Chen
May 4, 2022
IPAM
Francois Gygi - Generating Reference Data and Controlling Accuracy in DFT and Hybrid DFT Simulations
Presenter
- Francois Gygi
May 3, 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