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  1. 981
    Achieving a high dielectric tunability in strain-engineered tetragonal K0.5Na0.5NbO3 films
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  2. 982
    Transparency considerations for describing statistical analyses in research
    por Sang Kyu Kwak, Jonghae Kim
    Publicado 2021
    Materias: “...software...”
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  3. 983
    Colossal switchable photocurrents in topological Janus transition metal dichalcogenides
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  4. 984
    High performance Wannier interpolation of Berry curvature and related quantities with WannierBerri code
    por Stepan S. Tsirkin
    Publicado 2021
    Materias: “...Computer software...”
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  5. 985
    Tensor-structured algorithm for reduced-order scaling large-scale Kohn–Sham density functional theory calculations
    Materias: “...Computer software...”
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  6. 986
    Adsorption space for microporous polymers with diverse adsorbate species
    Materias: “...Computer software...”
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  7. 987
    Computational high-throughput screening of alloy nanoclusters for electrocatalytic hydrogen evolution
    Materias: “...Computer software...”
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  8. 988
    Electrode-induced impurities in tin halide perovskite solar cell material CsSnBr3 from first principles
    Materias: “...Computer software...”
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  9. 989
    Chemically induced local lattice distortions versus structural phase transformations in compositionally complex alloys
    Materias: “...Computer software...”
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  10. 990
    Prediction of crossing nodal-lines and large intrinsic spin Hall conductivity in topological Dirac semimetal Ta3As family
    Materias: “...Computer software...”
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  11. 991
    Spin–valley Hall phenomena driven by Van Hove singularities in blistered graphene
    Materias: “...Computer software...”
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  12. 992
    Ab initio molecular dynamics and materials design for embedded phase-change memory
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  13. 993
    Bayesian force fields from active learning for simulation of inter-dimensional transformation of stanene
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  14. 994
    Accurate simulation of surfaces and interfaces of ten FCC metals and steel using Lennard–Jones potentials
    Materias: “...Computer software...”
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  15. 995
    Machine learning for perovskite materials design and discovery
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  16. 996
    The AiiDA-KKR plugin and its application to high-throughput impurity embedding into a topological insulator
    Materias: “...Computer software...”
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  17. 997
    Empirical interatomic potentials optimized for phonon properties
    Materias: “...Computer software...”
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  18. 998
    Mechanical properties of Fe-rich Si alloy from Hamiltonian
    Materias: “...Computer software...”
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  19. 999
    Predicting defect behavior in B2 intermetallics by merging ab initio modeling and machine learning
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  20. 1000
    Construction of ground-state preserving sparse lattice models for predictive materials simulations
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