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OALib Journal期刊
ISSN: 2333-9721
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ISSN Print: 2057-3960

ISSN Online:

主页: https://www.nature.com/npjcompumats

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Enhancing hydrogen evolution on the basal plane of transition metal dichacolgenide van der Waals heterostructures

Bandgap prediction by deep learning in configurationally hybridized graphene and boron nitride

Deep neural networks for understanding noisy data applied to physical property extraction in scanning probe microscopy

Dimerization energetics of curli fiber subunits CsgA and CsgB

Charged grain boundary transitions in ionic ceramics for energy applications

Machine-learned multi-system surrogate models for materials prediction

Application of pan-sharpening algorithm for correlative multimodal imaging using AFM-IR

Composite topological nodal lines penetrating the Brillouin zone in orthorhombic AgF2

Orbital magneto-optical response of periodic insulators from first principles

Connection between Mott physics and crystal structure in a series of transition metal binary compounds

Numerical prediction of colloidal phase separation by direct computation of Navier–Stokes equation

Noble gas as a functional dopant in ZnO

New frontiers for the materials genome initiative

Microphase separation of a miscible binary liquid mixture under confinement at the nanoscale

Prediction of Weyl semimetal and antiferromagnetic topological insulator phases in Bi2MnSe4

Adhesive behavior and detachment mechanisms of bacterial amyloid nanofibers

Unlocking the potential of weberite-type metal fluorides in electrochemical energy storage

Origin of ultrafast growth of monolayer WSe2 via chemical vapor deposition

The (eg ？ eu) ？ Eg product Jahn–Teller effect in the neutral group-IV vacancy quantum bits in diamond

Solving the electronic structure problem with machine learning

Electron engineering of metallic multiferroic polarons in epitaxial BaTiO3

Designing interfaces in energy materials applications with first-principles calculations

Active learning in materials science with emphasis on adaptive sampling using uncertainties for targeted design

Implementation of distortion symmetry for the nudged elastic band method with DiSPy

Nanoscale self-healing mechanisms in shape memory ceramics

Computational strategies for design and discovery of nanostructured thermoelectrics

Coordination corrected ab initio formation enthalpies

Fast and interpretable classification of small X-ray diffraction datasets using data augmentation and deep neural networks

Analyzing machine learning models to accelerate generation of fundamental materials insights

Bayesian inference of atomistic structure in functional materials

Predicting surface deformation during mechanical attrition of metallic alloys

First-principles-based prediction of yield strength in the RhIrPdPtNiCu high-entropy alloy

Deep learning analysis of defect and phase evolution during electron beam-induced transformations in WS2

High-throughput 3D reconstruction of stochastic heterogeneous microstructures in energy storage materials

Electric field tuning of the anomalous Hall effect at oxide interfaces

Plasmon-enhanced light–matter interactions and applications

Orbitally driven giant thermal conductance associated with abnormal strain dependence in hydrogenated graphene-like borophene

Genetic algorithms for computational materials discovery accelerated by machine learning

Closing the gap between atomic-scale lattice deformations and continuum elasticity

Topological superconducting phase in high-Tc superconductor MgB2 with Dirac–nodal-line fermions

Predicting interfacial thermal resistance by machine learning

Strong hopping induced Dzyaloshinskii–Moriya interaction and skyrmions in elemental cobalt

Impact of lattice relaxations on phase transitions in a high-entropy alloy studied by machine-learning potentials

Automated estimation of materials parameter from X-ray absorption and electron energy-loss spectra with similarity measures

Identifying Pb-free perovskites for solar cells by machine learning

Heavy ion ranges from first-principles electron dynamics

Spin coherence in two-dimensional materials

Large piezoelectric response in a family of metal-free perovskite ferroelectric compounds from first-principles calculations

Local-environment dependence of stacking fault energies in concentrated solid-solution alloys

Asymmetric MXene/monolayer transition metal dichalcogenide heterostructures for functional applications

©2008-2020 OALib, Inc | Public user content licensed CC-BY 4.0 unless otherwise specified. OALib ISSN Online: 2333-9721 OALib ISSN Print: 2333-9705