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Stefano Baroni - estimate transport coefficients from short equilibrium molecular-dynamic simulation
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Large-Scale Certified Numerical Methods in Quantum Mechanics - 2022
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- 1 Stefano Baroni - estimate transport coefficients from short equilibrium molecular-dynamic simulation
- 2 Genevieve Dusson - Error bounds for properties in planewave electronic structure calculations
- 3 Markus Reiher - Uncertainty Quantification of Quantum Chemical Methods - IPAM at UCLA
- 4 Xiaoying Dai - Convergent orthogonality preserving appoximations of the Kohn-Sham orbitals
- 5 David Mazziotti - Contracted Quantum Eigensolver for the Quantum Simulation of Many-electron Systems
- 6 Julia Contreras-García - Math-chimie: developing approaches for predicting new superconductors
- 7 Benjamin Stamm - Acceleration of quantum mechanical systems by exploiting similarity - IPAM at UCLA
- 8 Filippo Lipparini - Black-box optimization of self-consistent field wavefunction, closed/open shells
- 9 Huajie Chen - Convergence of the Planewave Approximations for Quantum Incommensurate Systems
- 10 Mi-Song Dupuy - Sparse and symmetry-preserving compression of matrix product operators
- 11 Amartya Banerjee - Electronic Structure Calculations of Chiral Matter - IPAM at UCLA
- 12 Virginie Ehrlacher - Multi-center decomposition of molecular densities: a mathematical perspective
- 13 Antoine Levitt - Numerical methods for scattering and resonance properties in molecules and solids
- 14 Emmanuel Giner - Curing basis set convergence of WFT w/ DFT: overview of framework and some results
- 15 Francois Gygi - Generating Reference Data and Controlling Accuracy in DFT and Hybrid DFT Simulations
- 16 Yingzhou Li - Fast Algorithms for FCI excited states - IPAM at UCLA
- 17 Xin Xing - Finite-size error and its correction in energy calculations for periodic systems
- 18 Lin Lin - Large scale hybrid DFT functionals: fast algorithms and finite-size effects - IPAM at UCLA
- 19 Julien Toulouse - Basis-set correction based on density-functional theory - IPAM at UCLA
- 20 Chao Yang - Low rank approximation in electron excitation calculations - IPAM at UCLA
- 21 Muhammad Hassan - Development of a posteriori error estimates for the coupled cluster equations
