None Available2014-01-01OSTI OAI (U.S. Department of Energy Office of Scientific and Technical Information)
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
X-ray Diffraction in CrystallographyAdvanced ceramic materials synthesis
None Available2014-01-01OSTI OAI (U.S. Department of Energy Office of Scientific and Technical Information)
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
X-ray Diffraction in Crystallography
M Chaturvedi、Y Molino、B Sreedhar 等 5 位作者2014-01-01DOAJ (DOAJ: Directory of Open Access Journals)
Mayank Chaturvedi,1 Yves Molino,2 Bojja Sreedhar,3 Michel Khrestchatisky,4 Leszek Kaczmarek1 1Laboratory of Neurobiology, Nencki Institute, Warsaw, Poland; 2Vect-Horus, Marseille, France; 3Indian Institute of Chemical Technology, Hyderabad, India; 4Aix-Marseille Université, CNRS, NICN, UMR7259, Marseille, France Aim:…
Graphene and Nanomaterials ApplicationsNanoparticle-Based Drug DeliveryProtease and Inhibitor Mechanisms
None Available2014-01-01OSTI OAI (U.S. Department of Energy Office of Scientific and Technical Information)
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
X-ray Diffraction in Crystallography
Ania Amrous、Bocquet, F、Laurent Nony 等 12 位作者2014-01-01HAL (Le Centre pour la Communication Scientifique Directe)
Achieving control over formation of molecular films on insulating substrates is important for designing novel 2D functional materials and devices. To study the main factors governing successful control, organic molecules with interchangeable polar functional groups, a variable length aromatic body, and flexible hydroc…
Nanopore and Nanochannel Transport StudiesCovalent Organic Framework ApplicationsSurface Chemistry and Catalysis
None Available2014-01-01OSTI OAI (U.S. Department of Energy Office of Scientific and Technical Information)
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Crystal Structures and PropertiesMetallurgical Processes and ThermodynamicsX-ray Diffraction in Crystallography
None Available2014-01-01OSTI OAI (U.S. Department of Energy Office of Scientific and Technical Information)
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Inorganic Chemistry and MaterialsChalcogenide Semiconductor Thin FilmsX-ray Diffraction in Crystallography
None Available2014-01-01OSTI OAI (U.S. Department of Energy Office of Scientific and Technical Information)
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Fiber-reinforced polymer compositesSilicone and Siloxane ChemistryMaterial Properties and Applications
Pauline Resnier、Anne-Laure Lainé、Anne Clavreul 等 9 位作者2014-01-01HAL (Le Centre pour la Communication Scientifique Directe)
National audience
Nanoparticle-Based Drug DeliveryFerrocene Chemistry and Applications
None Available2014-01-01OSTI OAI (U.S. Department of Energy Office of Scientific and Technical Information)
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
X-ray Diffraction in CrystallographyAdvancements in Battery MaterialsRecycling and Waste Management Techniques
None Available2014-01-01OSTI OAI (U.S. Department of Energy Office of Scientific and Technical Information)
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
X-ray Diffraction in CrystallographyAdvancements in Battery MaterialsGraphite, nuclear technology, radiation studies
None Available2014-01-01OSTI OAI (U.S. Department of Energy Office of Scientific and Technical Information)
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Advanced Battery Materials and TechnologiesAdvancements in Battery MaterialsX-ray Diffraction in Crystallography
None Available2014-01-01OSTI OAI (U.S. Department of Energy Office of Scientific and Technical Information)
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Advanced ceramic materials synthesis
None Available2014-01-01OSTI OAI (U.S. Department of Energy Office of Scientific and Technical Information)
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
X-ray Diffraction in CrystallographySolid-state spectroscopy and crystallography
None Available2014-01-01OSTI OAI (U.S. Department of Energy Office of Scientific and Technical Information)
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
X-ray Diffraction in Crystallography
None Available2014-01-01OSTI OAI (U.S. Department of Energy Office of Scientific and Technical Information)
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Transition Metal Oxide Nanomaterials
None Available2014-01-01OSTI OAI (U.S. Department of Energy Office of Scientific and Technical Information)
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Advanced ceramic materials synthesisRecycling and Waste Management TechniquesAdvancements in Battery Materials
None Available2014-01-01OSTI OAI (U.S. Department of Energy Office of Scientific and Technical Information)
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
X-ray Diffraction in CrystallographyNuclear materials and radiation effectsMagnetic and transport properties of perovskites and related materials
None Available2014-01-01OSTI OAI (U.S. Department of Energy Office of Scientific and Technical Information)
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
X-ray Diffraction in CrystallographyRecycling and Waste Management TechniquesAdvancements in Battery Materials
None Available2014-01-01OSTI OAI (U.S. Department of Energy Office of Scientific and Technical Information)
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
X-ray Diffraction in Crystallography