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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
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
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
Antoine Levitt - Numerical methods for scattering and resonance properties in molecules and solids
Presenter
- Antoine Levitt
May 3, 2022
IPAM
Amartya Banerjee - Electronic Structure Calculations of Chiral Matter
Presenter
- Amartya Banerjee
May 3, 2022
IPAM
Chao Yang - Low rank approximation in electron excitation calculations - IPAM at UCLA
Presenter
- Chao Yang
May 2, 2022
IPAM
Julien Toulouse - Basis-set correction based on density-functional theory
Presenter
- Julien Toulouse
May 2, 2022
IPAM
Xin Xing - Finite-size error and its correction in energy calculations for periodic systems
Presenter
- Xin Xing
May 2, 2022
IPAM