4 citations · 4 across the 1 of their papers we have counts for
2 papers
physics.chem-ph2021★ 4 cited
Using differentiable programming to obtain an energy and density-optimized exchange-correlation functional
Sebastian Dick, Marivi Fernandez-Serra
Using an end-to-end differentiable implementation of the Kohn-Sham self-consistent field equations, we obtain an accurate neural network-based exchange and correlation (XC) functio…
physics.comp-ph2018
Learning from the Density to Correct Total Energy and Forces in First Principle Simulations
Sebastian Dick, Marivi Fernandez-Serra
We propose a new molecular simulation framework that combines the transferability, robustness and chemical flexibility of an ab initio method with the accuracy and efficiency of a…