Works matching IS 20573960 AND DT 2024 AND VI 10
Results: 298
Highly sensitive 2D X-ray absorption spectroscopy via physics informed machine learning.
- Published in:
- NPJ Computational Materials, 2024, v. 10, n. 1, p. 1, doi. 10.1038/s41524-024-01313-7
- By:
- Publication type:
- Article
Author Correction: Emergent topological states via digital (001) oxide superlattices.
- Published in:
- 2024
- By:
- Publication type:
- Correction Notice
Author Correction: Optimizing and extending ion dielectric polarizability database for microwave frequencies using machine learning methods.
- Published in:
- 2024
- By:
- Publication type:
- Correction Notice
Computational morphogenesis for liquid crystal elastomer metamaterial.
- Published in:
- NPJ Computational Materials, 2024, v. 10, n. 1, p. 1, doi. 10.1038/s41524-024-01300-y
- By:
- Publication type:
- Article
Uncertainty-aware particle segmentation for electron microscopy at varied length scales.
- Published in:
- NPJ Computational Materials, 2024, v. 10, n. 1, p. 1, doi. 10.1038/s41524-024-01302-w
- By:
- Publication type:
- Article
Dynamic mode decomposition of nonequilibrium electron-phonon dynamics: accelerating the first-principles real-time Boltzmann equation.
- Published in:
- NPJ Computational Materials, 2024, v. 10, n. 1, p. 1, doi. 10.1038/s41524-024-01308-4
- By:
- Publication type:
- Article
Realization of 2D multiferroic with strong magnetoelectric coupling by intercalation: a first-principles high-throughput prediction.
- Published in:
- NPJ Computational Materials, 2024, v. 10, n. 1, p. 1, doi. 10.1038/s41524-024-01301-x
- By:
- Publication type:
- Article
Machine-learning structural reconstructions for accelerated point defect calculations.
- Published in:
- NPJ Computational Materials, 2024, v. 10, n. 1, p. 1, doi. 10.1038/s41524-024-01303-9
- By:
- Publication type:
- Article
Probabilistic physics-integrated neural differentiable modeling for isothermal chemical vapor infiltration process.
- Published in:
- NPJ Computational Materials, 2024, v. 10, n. 1, p. 1, doi. 10.1038/s41524-024-01307-5
- By:
- Publication type:
- Article
Predicting polymerization reactions via transfer learning using chemical language models.
- Published in:
- NPJ Computational Materials, 2024, v. 10, n. 1, p. 1, doi. 10.1038/s41524-024-01304-8
- By:
- Publication type:
- Article
Tailoring the quantum anomalous layer Hall effect in multiferroic bilayers through sliding.
- Published in:
- NPJ Computational Materials, 2024, v. 10, n. 1, p. 1, doi. 10.1038/s41524-024-01306-6
- By:
- Publication type:
- Article
The cage effect of electron beam irradiation damage in cryo-electron microscopy.
- Published in:
- NPJ Computational Materials, 2024, v. 10, n. 1, p. 1, doi. 10.1038/s41524-024-01299-2
- By:
- Publication type:
- Article
Elasto-plastic residual stress analysis of selective laser sintered porous materials based on 3D-multilayer thermo-structural phase-field simulations.
- Published in:
- NPJ Computational Materials, 2024, v. 10, n. 1, p. 1, doi. 10.1038/s41524-024-01296-5
- By:
- Publication type:
- Article
Active learning of ternary alloy structures and energies.
- Published in:
- NPJ Computational Materials, 2024, v. 10, n. 1, p. 1, doi. 10.1038/s41524-024-01256-z
- By:
- Publication type:
- Article
Data-driven optimization and machine learning analysis of compatible molecules for halide perovskite material.
- Published in:
- NPJ Computational Materials, 2024, v. 10, n. 1, p. 1, doi. 10.1038/s41524-024-01297-4
- By:
- Publication type:
- Article
An autonomous design algorithm to experimentally realize three-dimensionally isotropic auxetic network structures without compromising density.
- Published in:
- NPJ Computational Materials, 2024, v. 10, n. 1, p. 1, doi. 10.1038/s41524-024-01281-y
- By:
- Publication type:
- Article
NSGAN: a non-dominant sorting optimisation-based generative adversarial design framework for alloy discovery.
- Published in:
- NPJ Computational Materials, 2024, v. 10, n. 1, p. 1, doi. 10.1038/s41524-024-01294-7
- By:
- Publication type:
- Article
AI-enabled Lorentz microscopy for quantitative imaging of nanoscale magnetic spin textures.
- Published in:
- NPJ Computational Materials, 2024, v. 10, n. 1, p. 1, doi. 10.1038/s41524-024-01285-8
- By:
- Publication type:
- Article
Enhancing deep learning predictive models with HAPPY (Hierarchically Abstracted rePeat unit of PolYmers) representation.
- Published in:
- NPJ Computational Materials, 2024, v. 10, n. 1, p. 1, doi. 10.1038/s41524-024-01293-8
- By:
- Publication type:
- Article
Charge density wave ordering in NdNiO<sub>2</sub>: effects of multiorbital nonlocal correlations.
- Published in:
- NPJ Computational Materials, 2024, v. 10, n. 1, p. 1, doi. 10.1038/s41524-024-01298-3
- By:
- Publication type:
- Article
Na in diamond: high spin defects revealed by the ADAQ high-throughput computational database.
- Published in:
- NPJ Computational Materials, 2024, v. 10, n. 1, p. 1, doi. 10.1038/s41524-024-01292-9
- By:
- Publication type:
- Article
Machine learning-aided first-principles calculations of redox potentials.
- Published in:
- NPJ Computational Materials, 2024, v. 10, n. 1, p. 1, doi. 10.1038/s41524-024-01295-6
- By:
- Publication type:
- Article
Imaging and structure analysis of ferroelectric domains, domain walls, and vortices by scanning electron diffraction.
- Published in:
- NPJ Computational Materials, 2024, v. 10, n. 1, p. 1, doi. 10.1038/s41524-024-01265-y
- By:
- Publication type:
- Article
Deep learning with plasma plume image sequences for anomaly detection and prediction of growth kinetics during pulsed laser deposition.
- Published in:
- NPJ Computational Materials, 2024, v. 10, n. 1, p. 1, doi. 10.1038/s41524-024-01275-w
- By:
- Publication type:
- Article
Author Correction: The rule of four: anomalous distributions in the stoichiometries of inorganic compounds.
- Published in:
- 2024
- By:
- Publication type:
- Correction Notice
Evolution-guided Bayesian optimization for constrained multi-objective optimization in self-driving labs.
- Published in:
- NPJ Computational Materials, 2024, v. 10, n. 1, p. 1, doi. 10.1038/s41524-024-01274-x
- By:
- Publication type:
- Article
Growing strings in a chemical reaction space for searching retrosynthesis pathways.
- Published in:
- NPJ Computational Materials, 2024, v. 10, n. 1, p. 1, doi. 10.1038/s41524-024-01290-x
- By:
- Publication type:
- Article
Strain engineering the spin-valley coupling of the R-stacking sliding ferroelectric bilayer 2H-VX<sub>2</sub> (X = S, Se, Te).
- Published in:
- NPJ Computational Materials, 2024, v. 10, n. 1, p. 1, doi. 10.1038/s41524-024-01288-5
- By:
- Publication type:
- Article
Attention towards chemistry agnostic and explainable battery lifetime prediction.
- Published in:
- NPJ Computational Materials, 2024, v. 10, n. 1, p. 1, doi. 10.1038/s41524-024-01286-7
- By:
- Publication type:
- Article
Coexistence of superconductivity and topological phase in kagome metals ANb<sub>3</sub>Bi<sub>5</sub> (A = K, Rb, Cs).
- Published in:
- NPJ Computational Materials, 2024, v. 10, n. 1, p. 1, doi. 10.1038/s41524-024-01291-w
- By:
- Publication type:
- Article
Multi-plane denoising diffusion-based dimensionality expansion for 2D-to-3D reconstruction of microstructures with harmonized sampling.
- Published in:
- NPJ Computational Materials, 2024, v. 10, n. 1, p. 1, doi. 10.1038/s41524-024-01280-z
- By:
- Publication type:
- Article
Machine learning-enabled chemical space exploration of all-inorganic perovskites for photovoltaics.
- Published in:
- NPJ Computational Materials, 2024, v. 10, n. 1, p. 1, doi. 10.1038/s41524-024-01270-1
- By:
- Publication type:
- Article
The Bell-Evans-Polanyi relation for hydrogen evolution reaction from first-principles.
- Published in:
- NPJ Computational Materials, 2024, v. 10, n. 1, p. 1, doi. 10.1038/s41524-024-01244-3
- By:
- Publication type:
- Article
Imaging and ferroelectric orientation mapping of photostriction in a single Bismuth Ferrite nanocrystal.
- Published in:
- NPJ Computational Materials, 2024, v. 10, n. 1, p. 1, doi. 10.1038/s41524-024-01287-6
- By:
- Publication type:
- Article
Towards accurate prediction of configurational disorder properties in materials using graph neural networks.
- Published in:
- NPJ Computational Materials, 2024, v. 10, n. 1, p. 1, doi. 10.1038/s41524-024-01283-w
- By:
- Publication type:
- Article
Compositional design and phase formation capability of high-entropy rare-earth disilicates from machine learning and decision fusion.
- Published in:
- NPJ Computational Materials, 2024, v. 10, n. 1, p. 1, doi. 10.1038/s41524-024-01282-x
- By:
- Publication type:
- Article
Pretraining of attention-based deep learning potential model for molecular simulation.
- Published in:
- NPJ Computational Materials, 2024, v. 10, n. 1, p. 1, doi. 10.1038/s41524-024-01278-7
- By:
- Publication type:
- Article
Complexity of many-body interactions in transition metals via machine-learned force fields from the TM23 data set.
- Published in:
- NPJ Computational Materials, 2024, v. 10, n. 1, p. 1, doi. 10.1038/s41524-024-01264-z
- By:
- Publication type:
- Article
JARVIS-Leaderboard: a large scale benchmark of materials design methods.
- Published in:
- NPJ Computational Materials, 2024, v. 10, n. 1, p. 1, doi. 10.1038/s41524-024-01259-w
- By:
- Publication type:
- Article
Machine learning-based prediction of polaron-vacancy patterns on the TiO<sub>2</sub>(110) surface.
- Published in:
- NPJ Computational Materials, 2024, v. 10, n. 1, p. 1, doi. 10.1038/s41524-024-01289-4
- By:
- Publication type:
- Article
Composition and state prediction of lithium-ion cathode via convolutional neural network trained on scanning electron microscopy images.
- Published in:
- NPJ Computational Materials, 2024, v. 10, n. 1, p. 1, doi. 10.1038/s41524-024-01279-6
- By:
- Publication type:
- Article
Active learning graph neural networks for partial charge prediction of metal-organic frameworks via dropout Monte Carlo.
- Published in:
- NPJ Computational Materials, 2024, v. 10, n. 1, p. 1, doi. 10.1038/s41524-024-01277-8
- By:
- Publication type:
- Article
Surface-dominated conductance scaling in Weyl semimetal NbAs.
- Published in:
- NPJ Computational Materials, 2024, v. 10, n. 1, p. 1, doi. 10.1038/s41524-024-01263-0
- By:
- Publication type:
- Article
Uncertainty-biased molecular dynamics for learning uniformly accurate interatomic potentials.
- Published in:
- NPJ Computational Materials, 2024, v. 10, n. 1, p. 1, doi. 10.1038/s41524-024-01254-1
- By:
- Publication type:
- Article
Group IV topological quantum alloy and the role of short-range order: the case of Ge-rich Ge<sub>1–x</sub>Pb<sub>x</sub>.
- Published in:
- NPJ Computational Materials, 2024, v. 10, n. 1, p. 1, doi. 10.1038/s41524-024-01271-0
- By:
- Publication type:
- Article
Giant piezoelectricity driven by Thouless pump in conjugated polymers.
- Published in:
- NPJ Computational Materials, 2024, v. 10, n. 1, p. 1, doi. 10.1038/s41524-024-01269-8
- By:
- Publication type:
- Article
Towards atom-level understanding of metal oxide catalysts for the oxygen evolution reaction with machine learning.
- Published in:
- NPJ Computational Materials, 2024, v. 10, n. 1, p. 1, doi. 10.1038/s41524-024-01273-y
- By:
- Publication type:
- Article
High-throughput approach to explore cold metals for electronic and thermoelectric devices.
- Published in:
- NPJ Computational Materials, 2024, v. 10, n. 1, p. 1, doi. 10.1038/s41524-024-01267-w
- By:
- Publication type:
- Article
Giant and controllable nonlinear magneto-optical effects in two-dimensional magnets.
- Published in:
- NPJ Computational Materials, 2024, v. 10, n. 1, p. 1, doi. 10.1038/s41524-024-01266-x
- By:
- Publication type:
- Article
Author Correction: Machine-learning potentials for nanoscale simulations of tensile deformation and fracture in ceramics.
- Published in:
- 2024
- By:
- Publication type:
- Correction Notice