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Exploring Compositional and Configurational Chemical Space with Explainable AI
Presenter
- Alexandre Tkatchenko
March 29, 2024
IMSI
Bridging Scales in Materials Modeling With Occam-Shaved Machine Learning
Presenter
- Luca Ghiringhelli
March 29, 2024
IMSI
Harnessing The Properties of Equivariant Neural Networks To Understand And Design Atomic Systems
Presenter
- Tess Smidt
March 29, 2024
IMSI
Extrapolating Unconverged GW Energies up to the Complete Basis Set Limit with a Linear Model
Presenter
- Fabien Bruneval
March 28, 2024
IMSI
Expressing The Density Matrix as Functional Of The Density: How To Profit From Machine Learning?
Presenter
- Lucia Reining
March 28, 2024
IMSI
Theory-informed AI/ML for Microscopy & Spectroscopy (tentative)
Presenter
- Maria Chan
March 28, 2024
IMSI
Deep Variational Quantum Monte Carlo – a way forward for strongly correlated systems?
Presenter
- Frank No\u00e9
March 27, 2024
IMSI
Neural Quantum States For Ab Initio Many-Body Electronic Problems
Presenter
- Giuseppe Carleo
March 27, 2024
IMSI
Wave function accuracy beyond the mode in variation Monte Carlo
Presenter
- Jonathan Weare
March 27, 2024
IMSI
A Kaczmarz-inspired approach to accelerate the optimization of neural network wavefunctions
Presenter
- Nilin Abrahamsen
March 27, 2024
IMSI
Physical constraints in machine learning models of electronic and atomic interactions
Presenter
- Boris Kozinsky
March 26, 2024
IMSI