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Работы, на которые ссылается эта работа

Работ: 94

Работа: Synthesizable Two-Dimensional Haeckelites with Auxetic Behavior and Multifunctional Properties: A Computational Study Integrating Machine Learning Interatomic Potentials

  1. Generalized Gradient Approximation Made Simple

    John P. Perdew, Kieron Burke, Matthias Ernzerhof

    Статья1996Цитирований: 153
    ABI

  2. Efficient iterative schemes for<i>ab initio</i>total-energy calculations using a plane-wave basis set

    Georg Kresse, J. Furthmüller

    Статья1996Цитирований: 64
    ABI

  3. Special points for Brillouin-zone integrations

    Hendrik J. Monkhorst, J.D. Pack

    Статья1976Цитирований: 60
    ABI

  4. From ultrasoft pseudopotentials to the projector augmented-wave method

    Georg Kresse, Daniel P. Joubert

    Статья1999Цитирований: 39
    ABI

  5. The electronic properties of graphene

    A. H. Castro Neto, F. Guinea, N. M. R. Peres +2

    Статья2009Цитирований: 39
    ABI

  6. Necessary and sufficient elastic stability conditions in various crystal systems

    Félix Mouhat, François‐Xavier Coudert

    Статья2014Цитирований: 16
    ABI

  7. First-principles Phonon Calculations with Phonopy and Phono3py

    Atsushi Togo

    Статья2022Цитирований: 12
    ABI

  8. Structural and Electronic Properties of<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mi>T</mml:mi></mml:math>Graphene: A Two-Dimensional Carbon Allotrope with Tetrarings

    Yu Liu, Gang Wang, Qingsong Huang +2

    Статья2012Цитирований: 9
    ABI

  9. First-principles calculations of the ferroelastic transition between rutile-type and<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mtext>CaCl</mml:mtext></mml:mrow><mml:mn>2</mml:mn></mml:msub></mml:mrow></mml:math>-type<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mtext>SiO</mml:mtext></mml:mrow><mml:mn>2</mml:mn></mml:msub></mml:mrow></mml:math>at high pressures

    Atsushi Togo, Fumiyasu Oba, Isao Tanaka

    Статья2008Цитирований: 8
    ABI

  10. Detection of individual gas molecules adsorbed on graphene

    F. Schedin, A. K. Geǐm, С. В. Морозов +4

    Статья2007Цитирований: 7
    ABI

  11. ShengBTE: A solver of the Boltzmann transport equation for phonons

    Wu Li, Jesús Carrete, Nebil A. Katcho +1

    Статья2014Цитирований: 6
    ABI

  12. Synthesis of borophenes: Anisotropic, two-dimensional boron polymorphs

    Andrew J. Mannix, Xiang‐Feng Zhou, Brian Kiraly +12

    Статья2015Цитирований: 4
    ABI

  13. Phagraphene: A Low-Energy Graphene Allotrope Composed of 5–6–7 Carbon Rings with Distorted Dirac Cones

    Zhenhai Wang, Xiang‐Feng Zhou, Xiaoming Zhang +4

    Статья2015Цитирований: 4
    ABI

  14. Prediction of a new two-dimensional metallic carbon allotrope

    Xinquan Wang, Handong Li, Jian-Tao Wang

    Статья2012Цитирований: 4
    ABI

  15. Black phosphorus field-effect transistors

    Likai Li, Yijun Yu, Guo Jun Ye +6

    Статья2014Цитирований: 3
    ABI

  16. Two-Dimensional Metal-Organic Framework Materials: Synthesis, Structures, Properties and Applications

    Gouri Chakraborty, In‐Hyeok Park, Raghavender Medishetty +1

    Обзорная статья2021Цитирований: 3
    ABI

  17. First-Principles Determination of the Structure of Magnesium Borohydride

    Xiang‐Feng Zhou, Artem R. Oganov, Guang‐Rui Qian +1

    Статья2012Цитирований: 3
    ABI

  18. Pressure-Induced Stabilization and Insulator-Superconductor Transition of BH

    Chaohao Hu, Artem R. Oganov, Qiang Zhu +4

    Статья2013Цитирований: 3
    ABI

  19. Evolutionary method for predicting surface reconstructions with variable stoichiometry

    Qiang Zhu, Li Li, Artem R. Oganov +1

    Статья2013Цитирований: 3
    ABI

  20. USPEX—Evolutionary crystal structure prediction

    Colin W. Glass, Artem R. Oganov, Nikolaus Hansen

    Статья2006Цитирований: 3
    ABI

  21. The thermodynamic scale of inorganic crystalline metastability

    Wenhao Sun, Stephen Dacek, Shyue Ping Ong +6

    Статья2016Цитирований: 3
    ABI

  22. Thermodynamic limit for synthesis of metastable inorganic materials

    Muratahan Aykol, Shyam Dwaraknath, Wenhao Sun +1

    Статья2018Цитирований: 3
    ABI

  23. Machine-learning interatomic potentials enable first-principles multiscale modeling of lattice thermal conductivity in graphene/borophene heterostructures

    Bohayra Mortazavi, Evgeny V. Podryabinkin, Stephan Roche +3

    Статья2020Цитирований: 3
    ABI

  24. Machine-learning interatomic potentials enable first-principles multiscale modeling of lattice thermal conductivity in graphene/borophene heterostructures

    Mortazavi, Bohayra, Podryabinkin, Evgeny V., Roche, Stephan +3

    Статья2020Цитирований: 3
    ABI

  25. Predicting the Electronic and Structural Properties of Two-Dimensional Materials Using Machine Learning

    Ehsan Alibagheri, Bohayra Mortazavi, Timon Rabczuk

    Статья2021Цитирований: 3
    ABI