Lenz Fiedler

Deep dive into machine learning density functional theory for materials science and chemistry

Lenz Fiedler, Karan Shah, Attila Cangi · Physical Review Materials · 2022 · 95 citations · Full text

Accelerating finite-temperature Kohn-Sham density functional theory with deep neural networks

John Ellis, Lenz Fiedler, Gabriel A. Popoola et al. · Physical review. B./Physical review. B · 2021 · 64 citations · Full text

Unified Machine-learning Models, Engineering, Machine Learning +17

Predicting electronic structures at any length scale with machine learning

Lenz Fiedler, Normand A. Modine, Steve Schmerler et al. · npj Computational Materials · 2023 · 58 citations · Full text

Interpretation and Automatic Generation of Fermi‐Orbital Descriptors

Sebastian Schwalbe, Kai Trepte, Lenz Fiedler et al. · Journal of Computational Chemistry · 2019 · 30 citations · Full text

Accelerating equilibration in first-principles molecular dynamics with orbital-free density functional theory

Lenz Fiedler, Zhandos A. Moldabekov, Xuecheng Shao et al. · Physical Review Research · 2022 · 26 citations · Full text

Quantum Dynamic, Molecular Kinetics, Engineering +15