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Accelerated prediction of atomically precise cluster structures using on-the-fly machin...
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2023-07-24 |
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Microstructure segmentation with deep learning encoders pre-trained on a large microsco...
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2023-06-25 |
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High-throughput screening of hypothetical metal-organic frameworks for thermal conducti...
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2023-06-25 |
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Excited state calculations using variational quantum eigensolver with spin-restricted a...
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2023-06-25 |
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A database of experimentally measured lithium solid electrolyte conductivities evaluate...
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2023-06-25 |
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Active learning to overcome exponential-wall problem for effective structure prediction...
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2023-05-23 |
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A Generative Deep Learning Framework for Inverse Design of Compositionally Complex Bulk...
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2023-05-23 |
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Machine learning guided discovery of ternary compounds involving La and immiscible Co a...
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2023-04-18 |
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High-throughput first-principle prediction of collinear magnetic topological materials
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2023-04-18 |
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Element-wise representations with ECNet for material property prediction and applicatio...
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2023-04-18 |
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Electric-controlled tunable thermal switch based on Janus monolayer MoSSe
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2023-04-18 |
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Superconductivity and topological aspects of two-dimensional transition-metal monohalides
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2023-04-18 |
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Missed ferroelectricity in methylammonium lead iodide
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2023-04-18 |
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LaBr2 bilayer multiferroic moiré superlattice with robust magnetoelectric coupling and...
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2023-04-18 |
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Non-synchronous bulk photovoltaic effect in two-dimensional interlayer-sliding ferroele...
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2023-04-18 |
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Inclusion of infrared dielectric screening in the GW method from polaron energies to ch...
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2023-04-18 |
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Functional data-driven framework for fast forecasting of electrode slurry rheology simu...
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2023-04-18 |
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Bidirectional mechanical switching window in ferroelectric thin films predicted by firs...
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2023-04-18 |
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Physics guided deep learning for generative design of crystal materials with symmetry c...
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2023-03-27 |
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Predicting lattice thermal conductivity via machine learning: a mini review
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2023-03-27 |
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Machine-learning atomic simulation for heterogeneous catalysis
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2023-03-27 |
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In-plane ferroelectric tunnel junctions based on 2D α-In2Se3/semiconductor heterostruc...
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2023-03-27 |
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Active learning to overcome exponential-wall problem for effective structure prediction...
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2023-03-27 |
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A Generative Deep Learning Framework for Inverse Design of Compositionally Complex Bulk...
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2023-03-27 |
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The NOMAD Artificial-Intelligence Toolkit: turning materials-science data into knowledg...
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2023-03-27 |
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