Roadmap on Advancements of the FHI-aims Software Package
Joseph W. Abbott(École Polytechnique Fédérale de Lausanne), Andrea Grisafi, Jonas Björk(Linköping University), Alberto Garcı́a(Consejo Superior de Investigaciones Científicas), Kyle R. Bryenton(Dalhousie University), Dorothea Golze(Aalto University), Stefan Goedecker(University of Basel), Michele Ceriotti(École Polytechnique Fédérale de Lausanne), Danilo S. Brambila, Alberto Ambrosetti, Jakob Filser, A. Bagrets, Eduardo Fabiano(Max-Planck-Institut für Kohlenforschung), Ferdinand Evers(University of Regensburg), Matthias Gramzow, Marc Dvorak, Carlos Mera Acosta(Brazilian Center for Research in Energy and Materials), Fabio Della Sala(Center for Biomolecular Nanotechnologies), Ralf Gehrke, Simon Erker(Graz University of Technology), Maria Dragoumi, Saeed Bohloul, Volker Blüm(Duke University), Björn Bieniek, Sucismita Chutia, Alaa Akkoush, Christian Carbogno, Connor L. Box, Lucas Foppa, Simiam Ghan, María Camarasa‐Gómez(University of the Basque Country), Matthew R. Farrow, Viktor Atalla, William Harbutt Dawson(RIKEN Center for Computational Science), Hannah Bertschi, Nicholas J. Boyer, James A. Green(Simulation Technologies (United States)), Mark Glass, Daniel Berger, Florian Fiebig, Luca Ghiringhelli(Friedrich-Alexander-Universität Erlangen-Nürnberg), Bernard Delley(Paul Scherrer Institute), Francisco A. Delesma(Technische Universität Dresden), Robert DiStasio(Cornell University), Sander Driessen(Eindhoven University of Technology), Gabriel A. Bramley(University College London), Gábor Csányi(University of Cambridge), Fabio Caruso, Joerg Behler(Ruhr University Bochum), Lukas Gallandi
Cited by 0
Related Papers
Reproducibility in density functional theory calculations of solids
|Science|2016|1.6k
From DFT to machine learning: recent approaches to materials science–a review
|Journal of Physics Materials|2019|837
Nuclear Quantum Effects in Water and Aqueous Systems: Experiment, Theory, and Current Challenges
|Chemical Reviews|2016|682
Chemical shifts in molecular solids by machine learning
|Nature Communications|2018|273
Photoinduced Nonadiabatic Dynamics of Pyrimidine Nucleobases: On-the-Fly Surface-Hopping Study with Semiempirical Methods
|The Journal of Physical Chemistry B|2009|221