sameAs
Real-space grids and the Octopus code as tools for the development of new simulation approaches for electronic systems.First-principles study of the lattice dynamical properties of strontium ruthenate.First principles explanation of the positive Seebeck coefficient of lithium.Rare-earth surface alloying: a new phase for GdAu2.Computational Benchmarking for Ultrafast Electron Dynamics: Wave Function Methods vs Density Functional Theory.Two-Step Phase Transition in SnSe and the Origins of its High Power Factor from First Principles.Quasi-One-Dimensional Metal-Insulator Transitions in Compound Semiconductor Surfaces.Conflicting evidence for ferroelectricity.Quantitative Agreement between Electron-Optical Phase Images ofWSe2and Simulations Based on Electrostatic Potentials that Include Bonding EffectsThe psml format and library for norm-conserving pseudopotential data curation and interoperabilityThe high conductivity of iron and thermal evolution of the Earth’s coreAb initio calculation of the thermal conductivity of indium antimonideOrigin of the counterintuitive dynamic charge in the transition metal dichalcogenidesZhao et al. ReplyElectron-Beam Manipulation of Silicon Dopants in GrapheneFunctionality in single-molecule devices: model calculations and applications of the inelastic electron tunneling signal in molecular junctionsFirst-principles conductance of nanoscale junctions from the polarizability of finite systemsPhases of polonium via density functional theoryDemixing processes in AgPd superlatticesAluminum conducts better than copper at the atomic scale: a first-principles study of metallic atomic wiresTemperature dependence of the electronic structure of semiconductors and insulatorsAre hydrogen-bonded charge transfer crystals room temperature ferroelectrics?Role of dynamical instability in the ab initio phase diagram of calciumStrain-induced effects in the electronic and spin properties of a monolayer of ferromagnetic GdAg2High Temperature Ferromagnetism in a GdAg2 MonolayerABINIT: Overview and focus on selected capabilities
P50
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P50
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Matthieu J. Verstraete
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Matthieu Verstraete
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Matthieu Verstraete
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Matthieu Verstraete
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Matthieu Verstraete
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Matthieu J. Verstraete
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Matthieu Verstraete
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Matthieu Verstraete
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Matthieu Verstraete
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Matthieu J. Verstraete
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Matthieu J. Verstraete
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Matthieu J. Verstraete
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Matthieu Verstraete
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Matthieu Verstraete
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Matthieu Verstraete
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P1053
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