npj Computational Materials

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近期文章

· Superconductivity and topological aspects of two-dimensional transition-metal monohalides	2022-10-27

· Excitation and detection of coherent sub-terahertz magnons in ferromagnetic and antifer...	2022-10-27

· Unfolding the structural stability of nanoalloys via symmetry-constrained genetic algor...	2022-10-27

· Prediction of stable Li-Sn compounds: boosting ab initio searches with neural network p...	2022-10-27

· Minimal crystallographic descriptors of sorption properties in hypothetical MOFs and ro...	2022-10-27

· The kinetics of static recovery by dislocation climb	2022-10-20

· MODEL, GUESS, CHECK: Wordle as a primer on active learning for materials research	2022-10-20

· MatSciBERT: A materials domain language model for text mining and information extraction	2022-10-20

· In-silico synthesis of lowest-pressure high-Tc ternary superhydrides	2022-10-20

· High-throughput predictions of metal–organic framework electronic properties: theoreti...	2022-10-20

· Emergence of instability-driven domains in soft stratified materials	2022-10-20

· Calibration after bootstrap for accurate uncertainty quantification in regression models	2022-10-20

· Extracting structural motifs from pair distribution function data of nanostructures usi...	2022-10-20

· Machine learning for exploring small polaron configurational space	2022-10-13

· Data-driven analysis of process, structure, and properties of additively manufactured I...	2022-10-13

· Electric-field driven stability control of skyrmions in an ultrathin transition-metal film	2022-10-13

· Connector theory for reusing model results to determine materials properties	2022-10-13

· Calibration after bootstrap for accurate uncertainty quantification in regression models	2022-10-13

· High-throughput screening of room temperature active Peltier cooling materials in Heusl...	2022-10-11

· Machine-learning assisted design principle search for singlet fission: an example study...	2022-10-11

· Learning two-phase microstructure evolution using neural operators and autoencoder arch...	2022-10-11

· Topology-optimized thermal metamaterials traversing full-parameter anisotropic space	2022-10-11

· Interpretable learning of voltage for electrode design of multivalent metal-ion batteries	2022-10-11

· AutoPhaseNN: unsupervised physics-aware deep learning of 3D nanoscale Bragg coherent di...	2022-10-11

· High-throughput computation and structure prototype analysis for two-dimensional ferrom...	2022-10-11

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