Tilmann Hickel

1. Automated optimization of convergence parameters in plane wave density functional theory calculations via a tensor decomposition-based uncertainty quantification
   2021/12/08 by Jan Janßen, Edgar Makarov, Janssen, Jan +7 · 3 citations
   Mathematics · Materials Science · Chemistry · #Tensor decomposition and applications #Machine Learning in Materials Science #Advanced NMR Techniques and Applications
2. Understanding alkali contamination in colloidal nanomaterials to unlock grain boundary impurity engineering
   2021/06/11 by Se‐Ho Kim, Su‐Hyun Yoo, Kim, Se-Ho +23 · 1 citation
   Earth and Planetary Sciences · Engineering · Materials Science · #Advanced Materials Characterization Techniques #Catalytic Processes in Materials Science #FOS: Physical sciences #Materials Science (cond-mat.mtrl-sci) #nanoparticles nucleation surface interactions
3. Computing binary alloy phase diagrams with explicit configurational and vibrational entropy
   2026/07/16 by Sarath Menon, Marvin Poul, Tilmann Hickel +2
   Physics and Astronomy · #cond-mat.mtrl-sci