Results: 200
Author Correction: Coevolutionary search for optimal materials in the space of all possible compounds.
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- 2020
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- Correction Notice
Efficient electron extraction of SnO2 electron transport layer for lead halide perovskite solar cell.
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- NPJ Computational Materials, 2020, v. 6, n. 1, p. 1, doi. 10.1038/s41524-020-00370-y
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- Article
Enhancing power factor of SnSe sheet with grain boundary by doping germanium or silicon.
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- NPJ Computational Materials, 2020, v. 6, n. 1, p. 1, doi. 10.1038/s41524-020-00368-6
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- Article
Flash sintering incubation kinetics.
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- NPJ Computational Materials, 2020, v. 6, n. 1, p. 1, doi. 10.1038/s41524-020-00359-7
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- Article
Coevolutionary search for optimal materials in the space of all possible compounds.
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- NPJ Computational Materials, 2020, v. 6, n. 1, p. 1, doi. 10.1038/s41524-020-0322-9
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- Article
A critical examination of compound stability predictions from machine-learned formation energies.
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- NPJ Computational Materials, 2020, v. 6, n. 1, p. 1, doi. 10.1038/s41524-020-00362-y
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- Article
Exchange-correlation functionals for band gaps of solids: benchmark, reparametrization and machine learning.
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- NPJ Computational Materials, 2020, v. 6, n. 1, p. 1, doi. 10.1038/s41524-020-00360-0
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- Article
Symmetry-enforced Weyl phonons.
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- NPJ Computational Materials, 2020, v. 6, n. 1, p. 1, doi. 10.1038/s41524-020-00358-8
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- Article
In silico modelling of cancer nanomedicine, across scales and transport barriers.
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- NPJ Computational Materials, 2020, v. 6, n. 1, p. 1, doi. 10.1038/s41524-020-00366-8
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- Article
Theoretical dissection of superconductivity in two-dimensional honeycomb borophene oxide B2O crystal with a high stability.
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- NPJ Computational Materials, 2020, v. 6, n. 1, p. 1, doi. 10.1038/s41524-020-00365-9
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- Article
Ultra-flat twisted superlattices in 2D heterostructures.
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- NPJ Computational Materials, 2020, v. 6, n. 1, p. 1, doi. 10.1038/s41524-020-00364-w
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- Article
Extracting local nucleation fields in permanent magnets using machine learning.
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- NPJ Computational Materials, 2020, v. 6, n. 1, p. 1, doi. 10.1038/s41524-020-00361-z
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- Article
Magnetic-gateable valley exciton emission.
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- NPJ Computational Materials, 2020, v. 6, n. 1, p. 1, doi. 10.1038/s41524-020-00356-w
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- Publication type:
- Article
Three-terminal Weyl complex with double surface arcs in a cubic lattice.
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- NPJ Computational Materials, 2020, v. 6, n. 1, p. 1, doi. 10.1038/s41524-020-00354-y
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- Article
The microscopic origin of DMI in magnetic bilayers and prediction of giant DMI in new bilayers.
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- NPJ Computational Materials, 2020, v. 6, n. 1, p. 1, doi. 10.1038/s41524-020-00351-1
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- Article
Quantum simulations of materials on near-term quantum computers.
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- NPJ Computational Materials, 2020, v. 6, n. 1, p. 1, doi. 10.1038/s41524-020-00353-z
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- Article
Author Correction: Embedding physics domain knowledge into a Bayesian network enables layer-by-layer process innovation for photovoltaics.
- Published in:
- 2020
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- Correction Notice
Toward nanoscale molecular mass spectrometry imaging via physically constrained machine learning on co-registered multimodal data.
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- NPJ Computational Materials, 2020, v. 6, n. 1, p. 1, doi. 10.1038/s41524-020-00357-9
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- Article
Generative adversarial networks (GAN) based efficient sampling of chemical composition space for inverse design of inorganic materials.
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- NPJ Computational Materials, 2020, v. 6, n. 1, p. 1, doi. 10.1038/s41524-020-00352-0
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- Article
Pores for thought: generative adversarial networks for stochastic reconstruction of 3D multi-phase electrode microstructures with periodic boundaries.
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- NPJ Computational Materials, 2020, v. 6, n. 1, p. 1, doi. 10.1038/s41524-020-0340-7
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- Article
Number mismatch between cations and anions as an indicator for low lattice thermal conductivity in chalcogenides.
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- NPJ Computational Materials, 2020, v. 6, n. 1, p. 1, doi. 10.1038/s41524-020-00355-x
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Linking electronic structure calculations to generalized stacking fault energies in multicomponent alloys.
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- NPJ Computational Materials, 2020, v. 6, n. 1, p. 1, doi. 10.1038/s41524-020-0348-z
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- Article
Graph theory approach to determine configurations of multidentate and high coverage adsorbates for heterogeneous catalysis.
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- NPJ Computational Materials, 2020, v. 6, n. 1, p. 1, doi. 10.1038/s41524-020-0345-2
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- Article
Field-free spin–orbit torque perpendicular magnetization switching in ultrathin nanostructures.
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- NPJ Computational Materials, 2020, v. 6, n. 1, p. 1, doi. 10.1038/s41524-020-0347-0
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- Article
Oxygen-vacancy induced magnetic phase transitions in multiferroic thin films.
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- NPJ Computational Materials, 2020, v. 6, n. 1, p. 1, doi. 10.1038/s41524-020-0344-3
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- Article
Giant anomalous Hall and Nernst effect in magnetic cubic Heusler compounds.
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- NPJ Computational Materials, 2020, v. 6, n. 1, p. 1, doi. 10.1038/s41524-020-0342-5
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- Article
Inverse-designed spinodoid metamaterials.
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- NPJ Computational Materials, 2020, v. 6, n. 1, p. 1, doi. 10.1038/s41524-020-0341-6
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- Article
Automated crystal structure analysis based on blackbox optimisation.
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- NPJ Computational Materials, 2020, v. 6, n. 1, p. 1, doi. 10.1038/s41524-020-0330-9
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- Article
Neural network learns physical rules for copolymer translocation through amphiphilic barriers.
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- NPJ Computational Materials, 2020, v. 6, n. 1, p. 1, doi. 10.1038/s41524-020-0318-5
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Learning excited states from ground states by using an artificial neural network.
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- NPJ Computational Materials, 2020, v. 6, n. 1, p. 1, doi. 10.1038/s41524-020-0336-3
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- Article
Anion order in oxysulfide perovskites: origins and implications.
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- NPJ Computational Materials, 2020, v. 6, n. 1, p. 1, doi. 10.1038/s41524-020-0338-1
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- Article
Complex strengthening mechanisms in the NbMoTaW multi-principal element alloy.
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- NPJ Computational Materials, 2020, v. 6, n. 1, p. 1, doi. 10.1038/s41524-020-0339-0
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- Article
Author Correction: Manifold learning of four-dimensional scanning transmission electron microscopy.
- Published in:
- 2020
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- Publication type:
- Correction Notice
Role of atomic-scale thermal fluctuations in the coercivity.
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- NPJ Computational Materials, 2020, v. 6, n. 1, p. 1, doi. 10.1038/s41524-020-0325-6
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- Article
Automated high-throughput Wannierisation.
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- NPJ Computational Materials, 2020, v. 6, n. 1, p. 1, doi. 10.1038/s41524-020-0312-y
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- Article
Computational framework for a systematic investigation of anionic redox process in Li-rich compounds.
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- NPJ Computational Materials, 2020, v. 6, n. 1, p. 1, doi. 10.1038/s41524-020-0335-4
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- Article
Author Correction: Vulnerable window of yield strength for swelling-driven fracture of phase-transforming battery materials.
- Published in:
- 2020
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- Publication type:
- Correction Notice
High-throughput density functional perturbation theory and machine learning predictions of infrared, piezoelectric, and dielectric responses.
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- NPJ Computational Materials, 2020, v. 6, n. 1, p. 1, doi. 10.1038/s41524-020-0337-2
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- Article
Perfect short-range ordered alloy with line-compound-like properties in the ZnSnN2:ZnO system.
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- NPJ Computational Materials, 2020, v. 6, n. 1, p. 1, doi. 10.1038/s41524-020-0331-8
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- Article
Machine learning assisted design of γ′-strengthened Co-base superalloys with multi-performance optimization.
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- NPJ Computational Materials, 2020, v. 6, n. 1, p. 1, doi. 10.1038/s41524-020-0334-5
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- Article
Frequency-dependent dielectric constant prediction of polymers using machine learning.
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- NPJ Computational Materials, 2020, v. 6, n. 1, p. 1, doi. 10.1038/s41524-020-0333-6
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- Article
Strain-induced resonances in the dynamical quadratic magnetoelectric response of multiferroics.
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- NPJ Computational Materials, 2020, v. 6, n. 1, p. 1, doi. 10.1038/s41524-020-0311-z
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- Article
Simulating Raman spectra by combining first-principles and empirical potential approaches with application to defective MoS2.
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- NPJ Computational Materials, 2020, v. 6, n. 1, p. 1, doi. 10.1038/s41524-020-0320-y
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- Publication type:
- Article
Vulnerable window of yield strength for swelling-driven fracture of phase-transforming battery materials.
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- NPJ Computational Materials, 2020, v. 6, n. 1, p. 1, doi. 10.1038/s41524-020-0315-8
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- Article
Anomalous Hall effect, magneto-optical properties, and nonlinear optical properties of twisted graphene systems.
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- NPJ Computational Materials, 2020, v. 6, n. 1, p. 1, doi. 10.1038/s41524-020-0299-4
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- Article
The glassy solid as a statistical ensemble of crystalline microstates.
- Published in:
- NPJ Computational Materials, 2020, v. 6, n. 1, p. 1, doi. 10.1038/s41524-020-0329-2
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- Publication type:
- Article
Coevolutionary search for optimal materials in the space of all possible compounds.
- Published in:
- NPJ Computational Materials, 2020, v. 6, n. 1, p. 1, doi. 10.1038/s41524-020-0322-9
- By:
- Publication type:
- Article
Efficient training of ANN potentials by including atomic forces via Taylor expansion and application to water and a transition-metal oxide.
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- NPJ Computational Materials, 2020, v. 6, n. 1, p. 1, doi. 10.1038/s41524-020-0323-8
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- Publication type:
- Article
Enabling materials informatics for 29Si solid-state NMR of crystalline materials.
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- NPJ Computational Materials, 2020, v. 6, n. 1, p. 1, doi. 10.1038/s41524-020-0328-3
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- Publication type:
- Article
Interface enhanced functionalities in oxide superlattices under mechanical and electric boundary conditions.
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- NPJ Computational Materials, 2020, v. 6, n. 1, p. 1, doi. 10.1038/s41524-020-0326-5
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- Publication type:
- Article