2021
- Highly accurate and constrained density functional obtained with differentiable programming Sebastian Dick and Marivi Fernandez-Serra, Phys. Rev. B 104, L161109 (2021)
2020
- Machine learning a accurate exchange and correlation functionals of the electronic density Sebastian Dick and Marivi Fernandez-Serra, Nature Communications 11, 3509 (2020) blogpost
2019
- Learning from the Density to Correct Total Energy and Forces in First Principle Simulations Sebastian Dick and Marivi Fernandez-Serra. Learning from the density to correct total energy and forces in first principle simulations. The Journal of Chemical Physics,151(14):144102, 2019.pdf