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Inorganic Chemistry

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Materials Chemistry

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Materials Science

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density of states

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5 results in Keywords: density of states

Materials Chemistry

Chemically Inspired Convolutional Neural Network using Electronic Structure Representation

Dong Hyeon Mok, Daeun Shin, Jonggeol Na, Seoin Back

Version 1 posted 30 January 2023

415

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Materials Chemistry

Bridging the Gap between H- and J-Aggregates: Classification and Supramolecular Tunability for Excitonic Band Structures in 2-Dimensional Molecular Aggregates

Arundhati Deshmukh, Niklas Geue, Nadine Bradbury, Timothy Atallah, Chern Chuang, Monica Pengshung, Jianshu Cao, Ellen Sletten, Daniel Neuhauser, Justin Caram

Version 3 posted 13 April 2022

1,138

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Theoretical and Computational Chemistry

Modelling amorphous materials via a joint solid-state NMR and X-ray absorption spectroscopy and DFT approach: application to alumina

Angela F Harper, Steffen P Emge, Pieter C M M Magusin, Clare P Grey, Andrew J Morris

Version 2 posted 02 August 2022

739

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Materials Science

Structure to Property: Machine Learning Methods for Predicting Electronic Properties of Crystals

Shokirbek Shermukhamedov, Dilorom Mamurjonova, Thana Maihom, Michael Probst

Version 1 posted 29 November 2023

280

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Physical Chemistry

Towards the Atomic-Level Analysis of Ground-State Electronic Structures of Solid Materials via Prediction from Core-Loss Spectra

Izumi Takahara, Kiyou Shibata, Teruyasu Mizoguchi

Version 1 posted 02 May 2024

127

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