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Author Correction: Deep-learning density functional theory Hamiltonian for...

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Convolutional network learning of self-consistent electron density via...

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Study on the mechanical properties of prefabricated assembled cover arch...

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Multiscale modeling of metal-hydride interphases—quantification of decoupled...

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XElemNet: towards explainable AI for deep neural networks in materials science

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Double-pentagon silicon chains in a quasi-1D Si/Ag(001) surface alloy

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Author Correction: Predicting equilibrium distributions for molecular systems...

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Comprehensive theoretical study of the effects of facet, oxygen vacancies,...

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A data-driven strategy for phase field nucleation modeling

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Computational insights into transition metal-based BaCoX3 (X = Cl, Br, I)...

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Molecular dynamics investigation of epoxy resin adsorption mechanisms on clay...

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An analysis of the textural properties of activated carbons obtained from...

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Unsupervised representation learning of Kohn–Sham states and consequences for...

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Unveiling the Pockels coefficient of ferroelectric nitride ScAlN

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Efficient generation of grids and traversal graphs in compositional spaces...

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Thermoelectric properties of XX- and XY-stacked GeS/GeSe van der Waals...

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An automated computational framework to construct printability maps for...

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Quantifying chemomechanical weakening in muscovite mica with a simple...

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High-speed and low-power molecular dynamics processing unit (MDPU) with ab...

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Exploring ground states of Fermi-Hubbard model on honeycomb lattices with...

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