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[HTML][HTML] The interface of machine learning and carbon quantum dots: From coordinated innovative synthesis to practical application in water control and …
Not long ago, carbon quantum dots (CQDs) came into view as a revolutionary class of
materials, propelling advancements in water remediation and electrochemical technology …
materials, propelling advancements in water remediation and electrochemical technology …
Machine learning for analyses and automation of structural characterization of polymer materials
Structural characterization of polymer materials is a major step in the process of creating
complex materials design-structural-property relationships. With growing interests in artificial …
complex materials design-structural-property relationships. With growing interests in artificial …
Proton conducting neuromorphic materials and devices
Neuromorphic computing and artificial intelligence hardware generally aims to emulate
features found in biological neural circuit components and to enable the development of …
features found in biological neural circuit components and to enable the development of …
Experiment-driven atomistic materials modeling: a case study combining X-ray photoelectron spectroscopy and machine learning potentials to infer the structure of …
An important yet challenging aspect of atomistic materials modeling is reconciling
experimental and computational results. Conventional approaches involve generating …
experimental and computational results. Conventional approaches involve generating …
2023 Roadmap on molecular modelling of electrochemical energy materials
New materials for electrochemical energy storage and conversion are the key to the
electrification and sustainable development of our modern societies. Molecular modelling …
electrification and sustainable development of our modern societies. Molecular modelling …
Robust machine learning inference from X-ray absorption near edge spectra through featurization
X-ray absorption spectroscopy (XAS) is a commonly employed technique for characterizing
functional materials. In particular, X-ray absorption near edge spectra (XANES) encode local …
functional materials. In particular, X-ray absorption near edge spectra (XANES) encode local …
Why is EXAFS for complex concentrated alloys so hard? Challenges and opportunities for measuring ordering with X-ray absorption spectroscopy
Short-range order (SRO) is a critical driver of properties (eg, corrosion resistance and tensile
strength) in multicomponent alloys such as complex concentrated alloys (CCAs). Extended …
strength) in multicomponent alloys such as complex concentrated alloys (CCAs). Extended …
Pair-variational autoencoders for linking and cross-reconstruction of characterization data from complementary structural characterization techniques
In materials research, structural characterization often requires multiple complementary
techniques to obtain a holistic morphological view of a synthesized material. Depending on …
techniques to obtain a holistic morphological view of a synthesized material. Depending on …
Deep learning of crystalline defects from TEM images: A solution for the problem of 'never enough training data'
K Govind, D Oliveros, A Dlouhy… - … learning: science and …, 2024 - iopscience.iop.org
Crystalline defects, such as line-like dislocations, play an important role for the performance
and reliability of many metallic devices. Their interaction and evolution still poses a multitude …
and reliability of many metallic devices. Their interaction and evolution still poses a multitude …
Physics-inspired transfer learning for ML-prediction of CNT band gaps from limited data
Recent years have seen a drastic increase in the scientific use of machine learning (ML)
techniques, yet their applications remain limited for many fields. Here, we demonstrate …
techniques, yet their applications remain limited for many fields. Here, we demonstrate …