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Computational search for magnetic and non-magnetic 2D topological materials using unifi...
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2020-08-03 |
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Coevolutionary search for optimal materials in the space of all possible compounds（在...
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2020-08-03 |
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Three-terminal Weyl complex with double surface arcs in a cubic lattice (立方晶格中具有...
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2020-08-03 |
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Domain wall-localized phonons in BiFeO3: spectrum and selection rules (BiFeO3中的畴壁局...
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2020-06-22 |
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Ab initio theory of the negatively charged boron vacancy qubit in hexagonal boron nitri...
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2020-06-22 |
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Completing density functional theory by machine learning hidden messages from molecules...
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2020-06-22 |
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Tunable chemical complexity to control atomic diffusion in alloys (以可调的化学复杂性调...
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2020-06-22 |
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Vulnerable window of yield strength for swelling-driven fracture of phase-transforming ...
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2020-06-22 |
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Completing density functional theory by machine learning hidden messages from molecules...
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2020-06-22 |
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Imaging mechanism for hyperspectral scanning probe microscopy via Gaussian process mode...
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2020-06-22 |
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Machine learning assisted design of γ′-strengthened Co-base superalloys with multi-pe...
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2020-06-22 |
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Machine-learned impurity level prediction for semiconductors: the example of Cd-based c...
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2020-06-22 |
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Machine-learning structural and electronic properties of metal halide perovskites using...
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2020-06-22 |
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Negative Poisson’s ratio in two-dimensional honeycomb structures （二维六角蜂窝状结构...
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2020-06-22 |
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Molecular recognition and specificity of biomolecules to titanium dioxide from molecula...
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2020-06-22 |
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PRISMS-PF: A general framework for phase-field modeling with a matrix-free finite eleme...
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2020-06-22 |
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Multiscale computational understanding and growth of 2D materials: a review (2D材料的多...
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2020-06-22 |
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Time-dependent density-functional theory molecular-dynamics study on amorphization of S...
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2020-06-02 |
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On-the-fly active learning of interpretable Bayesian force fields for atomistic rare ev...
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2020-06-02 |
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Machine-learning informed prediction of high-entropy solid solution formation: Beyond t...
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2020-06-02 |
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Coexistence of nontrivial topological properties and strong ferromagnetic fluctuations ...
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2020-06-02 |
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Anion charge and lattice volume dependent lithium ion migration in compounds with fcc a...
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2020-06-02 |
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Accelerated design and characterization of non-uniform cellular materials via a machine...
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2020-05-20 |
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Prediction of room-temperature half-metallicity in layered halide double perovskites （...
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2020-05-20 |
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Wannier Koopmans method calculations for transition metal oxide band gaps （利用Wannier...
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2020-05-06 |
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