Publication & Citation Trends
Publications
0 total
Roadmap on Advancements of the FHI-aims Software Package
Cited by 14
Semantic Scholar
Symmetry classification of 2D materials: layer groups versus space groups OA
Cited by 15
Semantic Scholar
Ehrenfest dynamics with localized atomic-orbital basis sets within the projector augmented-wave method. OA
Cited by 4
Semantic Scholar
Roadmap on methods and software for electronic structure based simulations in chemistry and materials
Cited by 13
Semantic Scholar
GPAW: An open Python package for electronic structure calculations. OA
Cited by 203
Semantic Scholar
A basic electro-topological descriptor for the prediction of organic molecule geometries by simple machine learning
Cited by 0
Semantic Scholar
Spread-balanced Wannier functions: Robust and automatable orbital localization OA
Cited by 5
Semantic Scholar
Atomic Simulation Recipes – A Python framework and library for automated workflows OA
Cited by 65
Semantic Scholar
Recent progress of the Computational 2D Materials Database (C2DB) OA
Cited by 470
Semantic Scholar
Research Topics
Advanced Chemical Physics Studies
(15)
Machine Learning in Materials Science
(10)
Spectroscopy and Quantum Chemical Studies
(8)
Electrocatalysts for Energy Conversion
(4)
Molecular Junctions and Nanostructures
(4)
Affiliations
University of the Basque Country
Ayuntamiento de San Sebastián
European Centre for Theoretical Studies in Nuclear Physics and Related Areas
European Theoretical Spectroscopy Facility
Material Physics Center