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Phase-field simulations of vortex chirality manipulation in ferroelectric...

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Sticky-MARTINI as a reactive coarse-grained model for molecular dynamics...

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Author Correction: The elphbolt ab initio solver for the coupled...

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Heterogeneous relational message passing networks for molecular dynamics...

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Lithium superionic conductors with corner-sharing frameworks

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Multipole polaron roams the devil’s staircase

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Autoregressive neural-network wavefunctions for ab initio quantum chemistry

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Extending conventional surface roughness ISO parameters using topological...

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Data-driven analysis of neutron diffraction line profiles: application to...

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Quantum point defects in 2D materials - the QPOD database

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Effect of pulse laser frequency on PLD growth of LuFeO3 explained by kinetic...

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Materials structure–property factorization for identification of synergistic...

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Two-step heat fusion kinetics and mechanical performance of thermoplastic...

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Superionic states formation in group III oxides irradiated with ultrafast lasers

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Recent advances and applications of deep learning methods in materials science

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Data-driven discovery of high performance layered van der Waals piezoelectric...

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Microscopic theory of light-induced ultrafast skyrmion excitation in...

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Sampling lattices in semi-grand canonical ensemble with autoregressive...

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MaterialsAtlas.org: a materials informatics web app platform for materials...

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Intermediate polaronic charge transport in organic crystals from a many-body...

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