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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…
cond-mat.mtrl-sci2020★ 2 cited
MatD3: A Database and Online Presentation Package for Research Data Supporting Materials Discovery, Design, and Dissemination
Raul Laasner, Xiaochen Du, Aditya Tanikanti +5
The discovery of new materials as well as the determination of a vast set of materials properties for science and technology is a fast growing field of research, with contributions…