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Open Access Research Article
Open Access Research Article

Investigation of dual atom doped single-layer MoS2 for electrochemical reduction of carbon dioxide by first-principle calculations and machine-learning

Open Access Research Article
Open Access Research Article

Physics infused machine learning force fields for 2D materials monolayers

Open Access Research Article
Open Access Research Article

Regulating the electrocatalytic performance for nitrogen reduction reaction by tuning the N contents in Fe3@NxC20-x (x = 0~4): a DFT exploration

This article belongs to the Special Issue Topic: Theory-Assisted Developing Electrocatalysis
Open Access Review
Open Access Review

Recent advances in the interface structure prediction for heteromaterial systems

Open Access Research Article
Open Access Research Article

Understanding oxidation resistance of Pt-based alloys through computations of Ellingham diagrams with experimental verifications

Open Access Review
Open Access Review

Characterizing the wetting behavior of 2D materials: a review

Open Access Research Article
Open Access Research Article

Machine learning for prediction of CO2/N2/H2O selective adsorption and separation in metal-zeolites

Open Access Review
Open Access Review

Recent advances and applications of machine learning in electrocatalysis

Open Access Research Article
Open Access Research Article

Effects of solutes on thermodynamic properties of (TMZrU)C (TM = Ta, Y) medium-entropy carbides: a first-principles study

Open Access Review
Open Access Review

Virtual sample generation in machine learning assisted materials design and discovery

Open Access Research Article
Open Access Research Article

Assessment of phase equilibria and thermodynamic properties in the Fe-RE (RE = rare earth metals) binary systems

Open Access Research Article
Open Access Research Article

Composition- and temperature-dependence of β to ω phase transformation in Ti-Nb alloys

Open Access Review
Open Access Review

Graph neural networks for molecular and materials representation

Open Access Research Article
Open Access Research Article

Machine learning accelerated discovery of high transmittance in (K0.5Na0.5)NbO3-based ceramics

Open Access Research Article
Open Access Research Article

Mapping pareto fronts for efficient multi-objective materials discovery

Open Access Review
Open Access Review

Data-driven design of eutectic high entropy alloys

Open Access Research Article
Open Access Research Article

Machine learning based optimization method for vacuum carburizing process and its application

Open Access Research Article
Open Access Research Article

Neural network to predict 23Na NMR spectra of Nan clusters

Open Access Research Article
Open Access Research Article

Linking processing parameters with melt pool properties of multiple nickel-based superalloys via high-dimensional Gaussian process regression

Open Access Research Article
Open Access Research Article

Development of an accurate “composition-process-properties” dataset for SLMed Al-Si-(Mg) alloys and its application in alloy design

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Journal of Materials Informatics
ISSN 2770-372X (Online)
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Portico

All published articles are preserved here permanently:

https://www.portico.org/publishers/oae/