Correction to:npj Computational Materials https://doi.org/10.1038/s41524-023-01171-9,published online 13 December 2023 In this article the wrong figure appeared as Fig.2.;the figure should have appeared as shown below...
This work is part of the OpenModel project that has received funding from the European Union’s Horizon 2020 research and innovation program under grant agreement No 953167(LP);the NCCR MARVEL,a National Centre of Competence in Research,funded by the Swiss National Science Foundation(grant number 205602);Calculations were made possibile by a grant from the Swiss National Supercomputing Centre(CSCS)on the Swiss share of the LUMI system under project ID 465000106.
Magnetic materials can display many solutions to the electronic-structure problem,corresponding to different local or global minima of the energy functional.In Hartree-Fock or density-functional theory different singl...
Open Access This article is licensed under a Creative Commons Attribution 4.0 International License,which permits use,sharing,adaptation,distribution and reproduction in any medium or format,as long as you give approp...
In the Acknowledgements section of this article the grant number relating to National Science Foundation given for Chenliang Xu and Niaz Abdolrahim was incorrectly given as NSF 2202124 and should have been DMR-2202124...
Open Access This article is licensed under a Creative Commons Attribution 4.0 International License,which permits use,sharing,adaptation,distribution and reproduction in any medium or format,as long as you give approp...
Correction to:npj Computational Materials https://doi.org/10.1038/s41524-024-01399-z,published online 02 September 2024 In this article,there are typos that need to be corrected.The main corrections are below.The orig...
Correction to:npj Computational Materials https://doi.org/10.1038/s41524-022-00754-2,published online 28 April 2022“In this article,there is an error in figure 2 and some text corrections.The figure should have appea...
supported by the Materials Project,funded by the U.S.Department of Energy under award DE-AC02-05CH11231(Materials Project program KC23MP);J.P.acknowledges the support from the U.S.Department of Energy,Office of Basic Energy Sciences,Early Career Research Program;J.W.L.and J.P.also acknowledge funding by the Transformational Tools and Technologies(TTT)project of the Aeronautics Research Mission Directorate(ARMD)at the National Aeronautics and SpaceAdministration(NASA).A.M.G.was supported by EPSRC Fellowship EP/T033231/1;This work used computational resources of the National Energy Research Scientific Computing Center(NERSC),a Department of Energy Office of Science User Facility supported by the Office of Science of the U.S.Department of Energy under Contract No.DE-AC02-05CH11231.
We develop an automated high-throughput workflow for calculating lattice dynamical properties from first principles including those dictated by anharmonicity.The pipeline automatically computes interatomic force const...
Correction to:npj Computational Materials https://doi.org/10.1038/s41524-023-00987-9,published online 18 March 2023 The original version of this Article contained typos in both the PDF and the HTML versions.In the fou...
Correction to:npj Computational Materials https://doi.org/10.1038/s41524-022-00914-4,published online 04 November 2022 The original version of this Article omitted some contributions in the Author Contributions sectio...