18 citations · 44 across the 7 of their papers we have counts for
3 papers · 1 filter
Quantum nuclear and band-dispersion effects recover near-UV absorption in short-hydrogen-bonded organic crystals
Jonas Hänseroth, Max Großmann, Malte Grunert +4
Near-UV optical absorption is increasingly reported in hydrogen-bonded organic and biomolecular materials lacking aromatic or extended pi-conjugated chromophores, yet its microscop…
High-throughput screening and mechanistic insights into solid acid proton conductors
Jonas Hänseroth, Max Großmann, Malte Grunert +2
Proton-conducting solid acids could enable water-free operation of high-temperature fuel cells. However, systematic materials screening has, hitherto, been computationally prohibit…
Broken neural scaling laws in materials science
Max Großmann, Malte Grunert, Erich Runge
In materials science, data are scarce and expensive to generate, whether computationally or experimentally. Therefore, it is crucial to identify how model performance scales with d…