4 citations · 4 across the 1 of their papers we have counts for
2 papers
cond-mat.mtrl-sci2025
Roadmap on Advancements of the FHI-aims Software Package
Joseph W. Abbott, Carlos Mera Acosta, Alaa Akkoush +203
Electronic-structure theory is the foundation of the description of materials including multiscale modeling of their properties and functions. Obviously, without sufficient accurac…
q-bio.BM2021★ 4 cited
Better force fields start with better data -- A data set of cation dipeptide interactions
Xiaojuan Hu, Maja-Olivia Lenz-Himmer, Carsten Baldauf
We present a data set from a first-principles study of amino-methylated and acetylated (capped) dipeptides of the 20 proteinogenic amino acids - including alternative possible side…