npj Computational Materials

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近期文章

· Dynamical phase-field model of coupled electronic and structural processes	2022-10-11

· Anisotropic Dzyaloshinskii-Moriya interaction protected by D2d crystal symmetry in two-...	2022-10-11

· Mechanisms of the Epitaxial Growth of Two-Dimensional Polycrystals	2022-10-11

· Lossless multi-scale constitutive elastic relations with artificial intelligence	2022-10-11

· Finding predictive models for singlet fission by machine learning	2022-10-11

· Emergence of local scaling relations in adsorption energies on high-entropy alloys	2022-10-11

· Discovering plasticity models without stress data	2022-10-11

· Dilute carbon in H3S under pressure	2022-10-11

· Discovering equations that govern experimental materials stability under environmental ...	2022-10-11

· Delocalization of dark and bright excitons in flat-band materials and the optical prope...	2022-10-11

· Atomic coordination dictates vibrational characteristics and thermal conductivity in am...	2022-10-11

· Perovskite synthesizability using graph neural networks	2022-10-11

· Super-resolving microscopy images of Li-ion electrodes for fine-feature quantification ...	2022-10-11

· Recent advances and applications of deep learning methods in materials science	2022-10-10

· Quantum point defects in 2D materials - the QPOD database	2022-10-10

· Persistent half-metallic ferromagnetism in a (111)-oriented manganite superlattice	2022-10-10

· Numerical quality control for DFT-based materials databases	2022-10-10

· Modeling antiphase boundary energies of Ni3Al-based alloys using automated density func...	2022-10-10

· Modeling and simulation of microstructure in metallic systems based on multi-physics ap...	2022-10-10

· Microscopic theory of light-induced ultrafast skyrmion excitation in transition metal f...	2022-10-10

· Super-resolving microscopy images of Li-ion electrodes for fine-feature quantification ...	2022-10-10

· The ferroelectric field-effect transistor with negative capacitance	2022-10-10

· Delocalization of dark and bright excitons in flat-band materials and the optical prope...	2022-09-08

· Atomic coordination dictates vibrational characteristics and thermal conductivity in am...	2022-09-08

· Dilute carbon in H3S under pressure	2022-09-08

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