Works matching IS 20573960 AND DT 2018 AND VI 4 AND IP 1
Results: 80
Unexpectedly large energy variations from dopant interactions in ferroelectric HfO<sub>2</sub> from high-throughput ab initio calculations.
- Published in:
- NPJ Computational Materials, 2018, v. 4, n. 1, p. N.PAG, doi. 10.1038/s41524-018-0133-4
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- Article
Unsupervised phase mapping of X-ray diffraction data by nonnegative matrix factorization integrated with custom clustering.
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- NPJ Computational Materials, 2018, v. 4, n. 1, p. N.PAG, doi. 10.1038/s41524-018-0099-2
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- Article
Co<sub>6</sub>Se<sub>8</sub>(PEt<sub>3</sub>)<sub>6</sub> superatoms as tunable chemical dopants for two-dimensional semiconductors.
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- NPJ Computational Materials, 2018, v. 4, n. 1, p. N.PAG, doi. 10.1038/s41524-018-0092-9
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- Article
Multiobjective genetic training and uncertainty quantification of reactive force fields.
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- NPJ Computational Materials, 2018, v. 4, n. 1, p. N.PAG, doi. 10.1038/s41524-018-0098-3
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- Article
Machine learning hydrogen adsorption on nanoclusters through structural descriptors.
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- NPJ Computational Materials, 2018, v. 4, n. 1, p. N.PAG, doi. 10.1038/s41524-018-0096-5
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- Article
Characterization of domain distributions by second harmonic generation in ferroelectrics.
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- NPJ Computational Materials, 2018, v. 4, n. 1, p. N.PAG, doi. 10.1038/s41524-018-0095-6
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- Article
Using machine learning and a data-driven approach to identify the small fatigue crack driving force in polycrystalline materials.
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- NPJ Computational Materials, 2018, v. 4, n. 1, p. N.PAG, doi. 10.1038/s41524-018-0094-7
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- Article
Automated defect analysis in electron microscopic images.
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- NPJ Computational Materials, 2018, v. 4, n. 1, p. N.PAG, doi. 10.1038/s41524-018-0093-8
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- Article
Nanometer-scale gradient atomic packing structure surrounding soft spots in metallic glasses.
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- NPJ Computational Materials, 2018, v. 4, n. 1, p. N.PAG, doi. 10.1038/s41524-018-0097-4
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- Article
Evaluation of thermodynamic equations of state across chemistry and structure in the materials project.
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- NPJ Computational Materials, 2018, v. 4, n. 1, p. N.PAG, doi. 10.1038/s41524-018-0091-x
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- Article
Fine-grained optimization method for crystal structure prediction.
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- NPJ Computational Materials, 2018, v. 4, n. 1, p. N.PAG, doi. 10.1038/s41524-018-0090-y
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- Article
Phase-field model of pitting corrosion kinetics in metallic materials.
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- NPJ Computational Materials, 2018, v. 4, n. 1, p. N.PAG, doi. 10.1038/s41524-018-0089-4
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- Article
Computational design of bimetallic core-shell nanoparticles for hot-carrier photocatalysis.
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- NPJ Computational Materials, 2018, v. 4, n. 1, p. N.PAG, doi. 10.1038/s41524-018-0088-5
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- Article
Author Correction: Design of high-strength refractory complex solid-solution alloys.
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- 2018
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- Correction Notice
Mapping mesoscopic phase evolution during E-beam induced transformations via deep learning of atomically resolved images.
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- NPJ Computational Materials, 2018, v. 4, n. 1, p. N.PAG, doi. 10.1038/s41524-018-0086-7
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- Article
Machine learning modeling of superconducting critical temperature.
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- NPJ Computational Materials, 2018, v. 4, n. 1, p. N.PAG, doi. 10.1038/s41524-018-0085-8
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- Article
Sequential piezoresponse force microscopy and the 'small-data' problem.
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- NPJ Computational Materials, 2018, v. 4, n. 1, p. N.PAG, doi. 10.1038/s41524-018-0084-9
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- Article
Learning local, quenched disorder in plasticity and other crackling noise phenomena.
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- NPJ Computational Materials, 2018, v. 4, n. 1, p. N.PAG, doi. 10.1038/s41524-018-0083-x
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- Article
Effect of ionic composition on thermal properties of energetic ionic liquids.
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- NPJ Computational Materials, 2018, v. 4, n. 1, p. N.PAG, doi. 10.1038/s41524-018-0082-y
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- Article
A strategy to apply machine learning to small datasets in materials science.
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- NPJ Computational Materials, 2018, v. 4, n. 1, p. N.PAG, doi. 10.1038/s41524-018-0081-z
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- Article
Author Correction: Automated generation and ensemble-learned matching of X-ray absorption spectra.
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- 2018
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- Correction Notice
Electrochemically driven conversion reaction in fluoride electrodes for energy storage devices.
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- NPJ Computational Materials, 2018, v. 4, n. 1, p. N.PAG, doi. 10.1038/s41524-018-0079-6
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- Article
Reconstructing phase diagrams from local measurements via Gaussian processes: mapping the temperature-composition space to confidence.
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- NPJ Computational Materials, 2018, v. 4, n. 1, p. N.PAG, doi. 10.1038/s41524-018-0078-7
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- Article
Spatial correlation of elastic heterogeneity tunes the deformation behavior of metallic glasses.
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- NPJ Computational Materials, 2018, v. 4, n. 1, p. N.PAG, doi. 10.1038/s41524-018-0077-8
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- Article
Ultra-low thermal conductivity of two-dimensional phononic crystals in the incoherent regime.
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- NPJ Computational Materials, 2018, v. 4, n. 1, p. N.PAG, doi. 10.1038/s41524-018-0076-9
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- Article
Improved phase field model of dislocation intersections.
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- NPJ Computational Materials, 2018, v. 4, n. 1, p. N.PAG, doi. 10.1038/s41524-018-0075-x
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- Article
Statistical variances of diffusional properties from ab initio molecular dynamics simulations.
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- NPJ Computational Materials, 2018, v. 4, n. 1, p. N.PAG, doi. 10.1038/s41524-018-0074-y
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- Article
Computational discovery of p-type transparent oxide semiconductors using hydrogen descriptor.
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- NPJ Computational Materials, 2018, v. 4, n. 1, p. N.PAG, doi. 10.1038/s41524-018-0073-z
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- Article
Automated generation and ensemble-learned matching of X-ray absorption spectra.
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- NPJ Computational Materials, 2018, v. 4, n. 1, p. N.PAG, doi. 10.1038/s41524-018-0067-x
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- Article
Bismuth and antimony-based oxyhalides and chalcohalides as potential optoelectronic materials.
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- NPJ Computational Materials, 2018, v. 4, n. 1, p. N.PAG, doi. 10.1038/s41524-018-0071-1
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- Article
An effective method to screen sodium-based layered materials for sodium ion batteries.
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- NPJ Computational Materials, 2018, v. 4, n. 1, p. N.PAG, doi. 10.1038/s41524-018-0070-2
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- Article
Active cell-matrix coupling regulates cellular force landscapes of cohesive epithelial monolayers.
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- NPJ Computational Materials, 2018, v. 4, n. 1, p. N.PAG, doi. 10.1038/s41524-018-0069-8
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- Article
Insight into point defects and impurities in titanium from first principles.
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- NPJ Computational Materials, 2018, v. 4, n. 1, p. N.PAG, doi. 10.1038/s41524-018-0068-9
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- Publication type:
- Article
Design of high-strength refractory complex solid-solution alloys.
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- NPJ Computational Materials, 2018, v. 4, n. 1, p. N.PAG, doi. 10.1038/s41524-018-0072-0
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- Publication type:
- Article
Displacement Current in Domain Walls of Bismuth Ferrite.
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- NPJ Computational Materials, 2018, v. 4, n. 1, p. N.PAG, doi. 10.1038/s41524-018-0066-y
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- Article
Efficient first-principles prediction of solid stability: Towards chemical accuracy.
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- NPJ Computational Materials, 2018, v. 4, n. 1, p. N.PAG, doi. 10.1038/s41524-018-0065-z
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- Article
Review on modeling of the anode solid electrolyte interphase (SEI) for lithium-ion batteries.
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- NPJ Computational Materials, 2018, v. 4, n. 1, p. N.PAG, doi. 10.1038/s41524-018-0064-0
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- Article
Temperature-dependent phonon spectra of magnetic random solid solutions.
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- NPJ Computational Materials, 2018, v. 4, n. 1, p. N.PAG, doi. 10.1038/s41524-018-0063-1
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- Article
Nanotwinned and hierarchical nanotwinned metals: a review of experimental, computational and theoretical efforts.
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- NPJ Computational Materials, 2018, v. 4, n. 1, p. N.PAG, doi. 10.1038/s41524-018-0062-2
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- Article
Large scale hybrid Monte Carlo simulations for structure and property prediction.
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- NPJ Computational Materials, 2018, v. 4, n. 1, p. N.PAG, doi. 10.1038/s41524-018-0137-0
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- Publication type:
- Article
Controlling polar-toroidal multi-order states in twisted ferroelectric nanowires.
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- NPJ Computational Materials, 2018, v. 4, n. 1, p. N.PAG, doi. 10.1038/s41524-018-0135-2
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- Publication type:
- Article
Tailoring properties of hybrid perovskites by domain-width engineering with charged walls.
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- NPJ Computational Materials, 2018, v. 4, n. 1, p. N.PAG, doi. 10.1038/s41524-018-0134-3
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- Publication type:
- Article
Unexpectedly large energy variations from dopant interactions in ferroelectric HfO<sub>2</sub> from high-throughput ab initio calculations.
- Published in:
- NPJ Computational Materials, 2018, v. 4, n. 1, p. N.PAG, doi. 10.1038/s41524-018-0133-4
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- Publication type:
- Article
First principles calculation of spin-related quantities for point defect qubit research.
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- NPJ Computational Materials, 2018, v. 4, n. 1, p. N.PAG, doi. 10.1038/s41524-018-0132-5
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- Publication type:
- Article
Predicting the structure and stability of titanium oxide electrides.
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- NPJ Computational Materials, 2018, v. 4, n. 1, p. N.PAG, doi. 10.1038/s41524-018-0131-6
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- Publication type:
- Article
Author Correction: Mapping mesoscopic phase evolution during E-beam induced transformations via deep learning of atomically resolved images.
- Published in:
- 2018
- By:
- Publication type:
- Correction Notice
Active learning for accelerated design of layered materials.
- Published in:
- NPJ Computational Materials, 2018, v. 4, n. 1, p. N.PAG, doi. 10.1038/s41524-018-0129-0
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- Publication type:
- Article
Deep-learning-based inverse design model for intelligent discovery of organic molecules.
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- NPJ Computational Materials, 2018, v. 4, n. 1, p. N.PAG, doi. 10.1038/s41524-018-0128-1
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- Publication type:
- Article
Precision and efficiency in solid-state pseudopotential calculations.
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- NPJ Computational Materials, 2018, v. 4, n. 1, p. N.PAG, doi. 10.1038/s41524-018-0127-2
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- Article
A thermodynamic potential for barium zirconate titanate solid solutions.
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- NPJ Computational Materials, 2018, v. 4, n. 1, p. N.PAG, doi. 10.1038/s41524-018-0126-3
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- Publication type:
- Article