16 citations · 16 across the 3 of their papers we have counts for
3 papers
Stable and Accurate Orbital-Free DFT Powered by Machine Learning
Roman Remme, Tobias Kaczun, Tim Ebert +10
Hohenberg and Kohn have proven that the electronic energy and the one-particle electron density can, in principle, be obtained by minimizing an energy functional with respect to th…
Influence of Core Substitution on the Electronic Structure of Benzobisthiadiazoles
Mohsen Ajdari, Ronja Pappenberger, Caja Annweiler +7
Benzobisthiadiazoles (BBTs) are promising organic semiconductors for applications in field effect transistors and solar cells, since they possess a strong electron-accepting charac…
KineticNet: Deep learning a transferable kinetic energy functional for orbital-free density functional theory
Roman Remme, Tobias Kaczun, Maximilian Scheurer +2
Orbital-free density functional theory (OF-DFT) holds the promise to compute ground state molecular properties at minimal cost. However, it has been held back by our inability to c…