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Computational screening of transition metal-doped CdS for photocatalytic hydrogen produ...
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2023-03-24 |
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Charge carrier mobilities of organic semiconductors: ab initio simulations with mode-sp...
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2023-03-24 |
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Accurate and efficient band-gap predictions for metal halide perovskites at finite temp...
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2023-03-23 |
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A computational framework for guiding the MOCVD-growth of wafer-scale 2D materials
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2023-03-23 |
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Anti-Jahn-Teller effect induced ultrafast insulator to metal transition in perovskite B...
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2023-03-23 |
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Data-driven discovery of 2D materials by deep generative models
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2023-03-23 |
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Crystal twins: self-supervised learning for crystalline material property prediction
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2023-03-23 |
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A simple denoising approach to exploit multi-fidelity data for machine learning materia...
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2023-03-23 |
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A machine learning enabled hybrid optimization framework for efficient coarse-graining ...
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2023-03-23 |
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Robust combined modeling of crystalline and amorphous silicon grain boundary conductanc...
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2023-03-23 |
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Recommender system for discovery of inorganic compounds
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2023-03-23 |
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Modeling of ultrafast X-ray induced magnetization dynamics in magnetic multilayer systems
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2023-03-23 |
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Extracting structural motifs from pair distribution function data of nanostructures usi...
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2023-03-23 |
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A public database of thermoelectric materials and system-identified material representa...
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2023-03-23 |
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Electronic fingerprint mechanism of NOx sensor based on single-material SnP3 logical ju...
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2023-03-23 |
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Training data selection for accuracy and transferability of interatomic potentials
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2023-03-23 |
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Predicting glass structure by physics-informed machine learning
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2023-03-23 |
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Materials property mapping from atomic scale imaging via machine learning based sub-pix...
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2023-03-23 |
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Explainable machine learning in materials science
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2023-03-23 |
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Topological feature engineering for machine learning based halide perovskite materials ...
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2023-03-23 |
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Thermodynamics and dielectric response of BaTiO3 by data-driven modeling
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2023-03-23 |
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Predicting solid state material platforms for quantum technologies
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2023-03-23 |
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Inferring topological transitions in pattern-forming processes with self-supervised lea...
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2023-03-23 |
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Data-augmentation for graph neural network learning of the relaxed energies of unrelaxe...
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2023-03-23 |
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A flexible and scalable scheme for mixing computed formation energies from different le...
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2023-03-23 |
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