المؤلفون: Christian Carbogno, Kristian Sommer Thygesen, Björn Bieniek, Claudia Draxl, Luca M. Ghiringhelli, Andris Gulans, Oliver T. Hofmann, Karsten W. Jacobsen, Sven Lubeck, Jens Jørgen Mortensen, Mikkel Strange, Elisabeth Wruss, Matthias Scheffler

المصدر: npj Computational Materials, Vol 8, Iss 1, Pp 1-8 (2022)

مصطلحات موضوعية: Materials of engineering and construction. Mechanics of materials, TA401-492, Computer software, QA76.75-76.765

وصف الملف: electronic resource

Relation: https://doaj.org/toc/2057-3960

URL الوصول: https://doaj.org/article/4afd070db64142f2adecbe2b30963dbf

المؤلفون: Christian Carbogno, Kristian Sommer Thygesen, Björn Bieniek, Claudia Draxl, Luca M. Ghiringhelli, Andris Gulans, Oliver T. Hofmann, Karsten W. Jacobsen, Sven Lubeck, Jens Jørgen Mortensen, Mikkel Strange, Elisabeth Wruss, Matthias Scheffler

المصدر: npj Computational Materials
Carbogno, C, Thygesen, K S, Bieniek, B, Draxl, C, Ghiringhelli, L M, Gulans, A, Hofmann, O T, Jacobsen, K W, Lubeck, S, Mortensen, J J, Strange, M, Wruss, E & Scheffler, M 2022, ' Numerical quality control for DFT-based materials databases ', npj Computational Materials, vol. 8, 69 . https://doi.org/10.1038/s41524-022-00744-4

مصطلحات موضوعية: Condensed Matter - Materials Science, Mechanics of Materials, Modeling and Simulation, Materials Science (cond-mat.mtrl-sci), FOS: Physical sciences, General Materials Science, Computational Physics (physics.comp-ph), Physics - Computational Physics, Computer Science Applications

وصف الملف: application/pdf

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::1e57dc3c434e4ed9d82692b5f1963076

المؤلفون: Patrick Rinke, Andreas Knorr, Eike Verdenhalven, Björn Bieniek, Marten Richter, Judith F. Specht

المساهمون: Technical University of Berlin, Fritz-Haber-Institut der Max-Planck-Gesellschaft, Department of Applied Physics, Aalto-yliopisto, Aalto University

المصدر: Physical Review Applied

مصطلحات موضوعية: Coupling, Materials science, ta114, Condensed Matter - Mesoscale and Nanoscale Physics, business.industry, Intermolecular force, General Physics and Astronomy, Charge density, FOS: Physical sciences, 02 engineering and technology, 021001 nanoscience & nanotechnology, 7. Clean energy, 01 natural sciences, Partial charge, Semiconductor, Orders of magnitude (time), Chemical physics, 0103 physical sciences, Mesoscale and Nanoscale Physics (cond-mat.mes-hall), 010306 general physics, 0210 nano-technology, business, Excitation, Quantum well

وصف الملف: application/pdf

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::f597c61414dab7b1730526374fd33fc2

المؤلفون: Björn Bieniek, Bernd Rellinghaus, Ludwig Schultz, Darius Pohl

المصدر: Journal of Nanoparticle Research. 13:5935-5946

مصطلحات موضوعية: Materials science, Alloy, Oxide, Nanoparticle, Bioengineering, General Chemistry, engineering.material, Condensed Matter Physics, Transfer system, Atomic and Molecular Physics, and Optics, Lattice mismatch, Ambient air, Metal, Condensed Matter::Materials Science, chemistry.chemical_compound, Crystallography, chemistry, Chemical physics, Modeling and Simulation, visual_art, Lattice (order), visual_art.visual_art_medium, engineering, General Materials Science

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::f8e91ecf2030dea8e4001c59c7f3e438
https://doi.org/10.1007/s11051-011-0405-0