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RESEARCH PAPER · Diamond and Related Materials · 2020

Electronic band structure phase diagram of 3D carbon allotropes from machine learning

Wei Wu, Sheng Rong Gong, Qiang Sun

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14 direct citing papers in this saved network. Explore the next layer with second-order citations.

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Electronic band structure phase diagram of 3D carbon allotropes from machine learningOriginalScreening Topological Quantum Materials for Na-Ion Battery Cathode25Topological Quantum Cathode Materials for Fast Charging Li‐Ion Battery Identified by Machine Learning and First Principles Calculation10THE MOLECULAR BEHAVIORS OF CALIXARENES AT THE AIR-WATER INTERFACE: DENSITY FUNCTIONAL THEORY, SURFACE PRESSURE, POTENTIAL, AND EFFECTIVE DIPOLE MOMENT3Machine learning accelerates the materials discovery142Revisiting hollow all-carbon structures: Aromaticity and kinetic stability7Density Function Theory Predicted Carbon Allotropes: Recent Developments13Examining graph neural networks for crystal structures: Limitations and opportunities for capturing periodicity96Construction of calixarene-based sensor: Multilayer Langmuir–Schaefer film and first-principles studies for 4-aminobenzoic acid sensing application3Deep Learning-Based Prediction of Band Gaps in Large-Cell Three-Dimensional Carbon Allotropes0Langmuir-Schaefer Film Investigation and Density Functional Theory Band Gap Calculations of Calix[n]arene-Para-Aminobenzoic Acid for Drug Nanosensor Application1Hybrid Materials Based on Reduced Graphene Oxide; Synthesis and Characterization of V and Ru Metal Complexes0Optical and first principle investigations of novel 4-sulfocalix[4]arene-para-aminobenzoic acid complex for drug sensing application1Stability, electronic and optical properties of group IV-carbide semiconductors: Graphenyldiene, and naphthylene-based monolayers3From zeolites to carbon allotropes: a triply periodic surfaces approach predicts 19 novel sp3-bonded carbon structures0

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14 direct citing papers saved.

  1. Screening Topological Quantum Materials for Na-Ion Battery Cathode

    ACS Materials Letters · 2021-12-17

    Wei Wu, Qiang Sun

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  2. Topological Quantum Cathode Materials for Fast Charging Li‐Ion Battery Identified by Machine Learning and First Principles Calculation

    Advanced Theory and Simulations · 2022-01-11

    Wei Wu, Shuo Wang, Qiang Sun

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  3. THE MOLECULAR BEHAVIORS OF CALIXARENES AT THE AIR-WATER INTERFACE: DENSITY FUNCTIONAL THEORY, SURFACE PRESSURE, POTENTIAL, AND EFFECTIVE DIPOLE MOMENT

    Malaysian Journal of Science · 2022-10-31

    Faridah Lisa Supian, Yeong Yi Wong, Nur Farah Nadia Abd Karim, Afiq Radzwan, Darvina C. K. Lim, Abdullah Faisal Al Naim

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  4. Machine learning accelerates the materials discovery

    Materials Today Communications · 2022-11-09

    Jiheng Fang, Ming Xie, Xingqun He, Jiming Zhang, Jieqiong Hu, Yongtai Chen, Youcai Yang, Qinglin Jin

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  5. Revisiting hollow all-carbon structures: Aromaticity and kinetic stability

    Diamond and Related Materials · 2023-05-31

    Osvaldo Yáñez, Ricardo Pino‐Rios

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  6. Density Function Theory Predicted Carbon Allotropes: Recent Developments

    ChemistrySelect · 2023-06-22

    Boris Ildusovich Kharisov, Oxana Vasilievna Kharissova, Lucy T. González, Yolanda Peña Méndez, Igor Е. Uflyand, Naveen Vasudev Kulkarni

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  7. Examining graph neural networks for crystal structures: Limitations and opportunities for capturing periodicity

    Science Advances · 2023-11-10

    Sheng Rong Gong, Keqiang Yan, Tian Xie, Yang Shao‐Horn, Rafael Gómez‐Bombarelli, Shuiwang Ji, Jeffrey C. Grossman

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  8. Construction of calixarene-based sensor: Multilayer Langmuir–Schaefer film and first-principles studies for 4-aminobenzoic acid sensing application

    Chinese Journal of Physics · 2023-12-09

    Yeong Yi Wong, Faridah Lisa Supian, Afiq Radzwan, Nur Farah Nadia Abd Karim, Farish Armani Hamidon, Nur Irwany Ahmad

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  9. Deep Learning-Based Prediction of Band Gaps in Large-Cell Three-Dimensional Carbon Allotropes

    SSRN Electronic Journal · 2024-01-01

    Jiang-Tao Yang, Qingyang Fan, Ming Ye, Mengjiang Xing, Heng Liu

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  10. Langmuir-Schaefer Film Investigation and Density Functional Theory Band Gap Calculations of Calix[n]arene-Para-Aminobenzoic Acid for Drug Nanosensor Application

    Journal of Wuhan University of Technology-Mater Sci Ed · 2024-09-23

    Yeong Yi Wong, Faridah Lisa Supian, Afiq Radzwan, Mazlina Musa, Nur Farah Nadia Abd Karim

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  11. Hybrid Materials Based on Reduced Graphene Oxide; Synthesis and Characterization of V and Ru Metal Complexes

    Journal of Fluorescence · 2025-02-12

    Mustafa Bal, Mehmet İsa Tontuş, Mehmet Tümer

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  12. Optical and first principle investigations of novel 4-sulfocalix[4]arene-para-aminobenzoic acid complex for drug sensing application

    Journal of Inclusion Phenomena and Macrocyclic Chemistry · 2025-04-23

    Yeong Yi Wong, Faridah Lisa Supian, Afiq Radzwan, Nur Farah Nadia Abd Karim, Farish Armani Hamidon, Nur Irwany Ahmad

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  13. Stability, electronic and optical properties of group IV-carbide semiconductors: Graphenyldiene, and naphthylene-based monolayers

    Journal of Physics and Chemistry of Solids · 2025-07-01

    José A.S. Laranjeira, Yusuf Zuntu Abdullahi, Robin Chang Yee Hui

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  14. From zeolites to carbon allotropes: a triply periodic surfaces approach predicts 19 novel sp3-bonded carbon structures

    Computational Materials Science · 2026-04-27

    Michael I. Smolkov, Mikhail Aleksandrovich Frolov, Artem A. Bokarev, Artem A. Kabanov, Alexander Fedorovich Krutov

    Read original paper ↗ ·
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