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   Articles with "atomic cluster" as a keyword



Isolated Metalloid Tellurium Atomic Cluster on Nitrogen‐Doped Carbon Nanosheet for High‐Capacity Rechargeable Lithium‐CO2 Battery

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recommendations! Published in 2023 at "Advanced Science"

DOI: 10.1002/advs.202205959

Abstract: Rechargeable Li‐CO2 battery represents a sustainable technology by virtue of CO2 recyclability and energy storage capability. Unfortunately, the sluggish mass transport and electron transfer in bulky high‐crystalline discharge product of Li2CO3, severely hinder its practical… read more here.

Keywords: atomic cluster; isolated metalloid; capacity; battery ... See more keywords

Performant implementation of the atomic cluster expansion (PACE) and application to copper and silicon

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recommendations! Published in 2021 at "npj Computational Materials"

DOI: 10.1038/s41524-021-00559-9

Abstract: The atomic cluster expansion is a general polynomial expansion of the atomic energy in multi-atom basis functions. Here we implement the atomic cluster expansion in the performant C++ code PACE that is suitable for use… read more here.

Keywords: atomic cluster; expansion; pace; cluster expansion ... See more keywords
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XXII. Symposium on Atomic, Cluster and Surface Physics (SASP).

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recommendations! Published in 2020 at "Chimia"

DOI: 10.2533/chimia.2020.509

Abstract: From Sunday February 2nd, 2020 until the following Friday, 75 scientists from all over the world gathered in Hotel Laudinella in St. Moritz to discuss their latest findings about surface, cluster and gas phase physics… read more here.

Keywords: xxii symposium; cluster surface; atomic cluster; symposium atomic ... See more keywords

Structural Fingerprinting of Crystalline Materials from XRD Patterns Using Atomic Cluster Expansion Neural Network and Atomic Cluster Expansion

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recommendations! Published in 2025 at "Applied Sciences"

DOI: 10.3390/app15115851

Abstract: This study introduces a novel contrastive learning-based X-ray diffraction (XRD) analysis framework, an SE(3)-equivariant graph neural network (E3NN) based Atomic Cluster Expansion Neural Network (EACNN), which reduces the strong dependency on databases and initial models… read more here.

Keywords: atomic cluster; neural network; cluster expansion;