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Author Correction:A rule-free workflow for the automated generation of databases from scientific literature
《npj Computational Materials》2024年第1期3223-3224,共2页Luke P.J.Gilligan Matteo Cobelli Valentin Taufour Stefano Sanvito 
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...
关键词:AUTOMATED DATABASES online 
The energy landscape of magnetic materials
《npj Computational Materials》2024年第1期1663-1669,共7页Louis Ponet Enrico Di Lucente Nicola Marzari 
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...
关键词:SURFACE OCCUPATION CORRECTION 
Publisher Correction:Machine learning-aided first-principles calculations of redox potentials
《npj Computational Materials》2024年第1期750-750,共1页Ryosuke Jinnouchi Ferenc Karsai Georg Kresse 
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...
关键词:CREATIVE app OPEN 
Author Correction:Automated classification of big X-ray diffraction data using deep learning models
《npj Computational Materials》2024年第1期1928-1928,共1页Jerardo E.Salgado Samuel Lerman Zhaotong Du Chenliang Xu Niaz Abdolrahim 
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...
关键词:KNOWLEDGE learning corrected 
Author Correction:Optimizing and extending ion dielectric polarizability database for microwave frequencies using machine learning methods
《npj Computational Materials》2024年第1期1951-1951,共1页Jincheng Qin Zhifu Liu Mingsheng Ma Yongxiang Li 
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...
关键词:DATABASE CREATIVE Open 
Author Correction:Enhanced high harmonic efficiency through phonon-assisted photodoping effect
《npj Computational Materials》2024年第1期596-597,共2页Jin Zhang Ofer Neufeld Nicolas Tancogne-Dejean I-Te Lu Hannes Hübener Umberto De Giovannini Angel Rubio 
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...
关键词:corrected HARMONIC DOPING 
Author Correction:Delocalization of dark and bright excitons in flat-band materials and the optical properties of V_(2)O_(5)
《npj Computational Materials》2024年第1期2346-2346,共1页Vitaly Gorelov Lucia Reining Martin Feneberg Rüdiger Goldhahn AndréSchleife Walter R.L.Lambrecht Matteo Gatti 
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...
关键词:CORRECTION corrected error 
A high-throughput framework for lattice dynamics
《npj Computational Materials》2024年第1期479-492,共14页Zhuoying Zhu Junsoo Park Hrushikesh Sahasrabuddhe Alex M.Ganose Rees Chang John W.Lawson Anubhav Jain 
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...
关键词:LATTICE PHONON CORRECTION 
Author Correction: Physics guided deep learning for generative design of crystal materials with symmetry constraints被引量:6
《npj Computational Materials》2023年第1期1275-1275,共1页Yong Zhao Edirisuriya M.Dilanga Siriwardane Zhenyao Wu Nihang Fu Mohammed Al-Fahdi Ming Hu Jianjun Hu 
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...
关键词:HTML constraints SYMMETRY 
Author Correction: A machine learning enabled hybrid optimization framework for efficient coarse-graining of a model polymer
《npj Computational Materials》2023年第1期203-203,共1页Zakiya Shireen Hansani Weeratunge Adrian Menzel Andrew W.Phillips Ronald G.Larson Kate Smith-Miles Elnaz Hajizadeh 
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...
关键词:optimization FORMAL GRAIN 
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