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Machine Learning in Materials Science

120 works

  1. Escape Depth of Secondary and Photoelectrons from CdTe Films with a Ba Film

    Б. Е. Умирзаков, Д. А. Ташмухамедова, M. A. Tursunov +2

    ArticleElectron and X-Ray Spectroscopy TechniquesTechnical Physics201912 citations
    ABI

  2. DFT insights for thermoelectric characteristics of Sr3AsI3 for energy harvesting applications by TB-mBJ studies

    Abrar Nazir, Ejaz Ahmad Khera, Mumtaz Manzoor +6

    ArticleAdvanced Thermoelectric Materials and DevicesInorganic Chemistry Communications20248 citations
    ABI

  3. Study the application of pristine and Sn metal doped B2CN3 monolayer as an anode for Cs-ion battery

    Ali B.M. Ali, Abdulrahman T. Ahmed, Suranjana V. Mayani‎ +7

    ArticleMXene and MAX Phase MaterialsJournal of Alloys and Compounds20254 citations
    ABI

  4. QSPR Modeling of Stability Constants of Coordination Compounds by Optimization of Correlation Weights of Local Graph Invariants

    Alla P. Toropova, Andrey A. Toropov, M. M. Ishankhodzhaeva +1

    ArticleComputational Drug Discovery MethodsRussian Journal of Inorganic Chemistry20004 citations
    ABI

  5. Exploration of hydrogen evolution reaction (HER) by using first row transition metals doped B6 complexes as support materials

    Naveen Kosar, Tariq Mahmood, Abdulrahman Allangawi +2

    ArticleMachine Learning in Materials ScienceInorganic Chemistry Communications20243 citations
    ABI

  6. Optimizing membrane reactor structures for enhanced hydrogen yield in CH4 tri-reforming: Insights from sensitivity analysis and machine learning approaches

    Mohammadali Nasrabadi, Agus Dwi Anggono, Lidia Sergeevna Budovich +2

    ArticleCatalysts for Methane ReformingInternational Journal of Thermofluids20242 citations
    ABI

  7. Formation Onset of Flat-Perylene Prenucleation Clusters in Vacuum

    Dilfuza Husanova, Jurat Ochilov, Umedjon Khalilov

    ArticleCrystallography and molecular interactionsChemical Physics20242 citations
    ABI

  8. Transition metal-functionalized hexagonal bipyramidal boron clusters as high-performance electrocatalysts for hydrogen evolution reaction: A DFT study

    Chou‐Yi Hsu, Ali B.M. Ali, Zainab H. Jamal +7

    ArticleElectrocatalysts for Energy ConversionInternational Journal of Hydrogen Energy20252 citations
    ABI

  9. QSPR Modeling of the Reactivity Parameters of Monomers in Radical Copolymerizations

    Andrey A. Toropov, В. О. Кудышкин, Н. Л. Воропаева +2

    ArticleComputational Drug Discovery MethodsJournal of Structural Chemistry20042 citations
    ABI

  10. Comparison of the molecular descriptors efficiency in modeling the structure-activity relationship

    Fatima Аdilova, Bakhtiyor Rasulev, Rifkat Davronov

    ArticleComputational Drug Discovery Methods2019 International Conference on Information Science and Communications Technologies (ICISCT)20192 citations
    ABI

  11. Taking account of the interfering effect of a competing reaction in neutron-activation analysis

    S. Mukhammedov, Jurabek Khushvaktov, E. G. Barsukova +1

    ArticleNuclear Physics and ApplicationsAtomic Energy20101 citations
    ABI

  12. A comparative analysis of the ensemble methods for drug design

    Rifkat Davronov, Fatima Аdilova

    ArticleComputational Drug Discovery MethodsAIP conference proceedings20211 citations
    ABI

  13. Structure to Property: Chemical Element Embeddings for Predicting Electronic Properties of Crystals

    Shokirbek Shermukhamedov, Dilorom Mamurjonova, Thana Maihom +1

    ArticleMachine Learning in Materials ScienceJournal of Chemical Information and Modeling20241 citations
    ABI

  14. Computational analysis of Wollastonite graph structure via machine learning techniques

    Bilal Ahmad Rather

    ArticleMachine Learning in Materials ScienceThe Journal of Supercomputing20251 citations
    ABI

  15. Metal–Organic Frameworks with a Crystal System Switch for Optical Tuning

    Vladimir P. Shirobokov, Irina D. Yushina, Yuri A. Mezenov +1

    ArticleMetal-Organic Frameworks: Synthesis and ApplicationsCrystal Growth & Design20251 citations
    ABI

  16. QSPR-modeling of oligophenylene melting points

    И. Н. Нургалиев, Andrey A. Toropov, В. О. Кудышкин +3

    ArticleComputational Drug Discovery MethodsJournal of Structural Chemistry20061 citations
    ABI

  17. Building Up QSPR for Polymers Endpoints by Using SMILES-Based Optimal Descriptors

    В. О. Кудышкин, Alla P. Toropova

    ChapterComputational Drug Discovery MethodsChallenges and advances in computational chemistry and physics20231 citations
    ABI

  18. SYNTHESIS AND STUDY OF THE NANOCOMPOSITE MNO2/C

    Dmitry Aronbaev, Sergey Aronbaev, Gavkhar Narmaeva +1

    ArticleBoron and Carbon Nanomaterials ResearchAustrian Journal of Technical and Natural Sciences20201 citations
    ABI

  19. Residual photoconductivity in boron monocrystals

    K.B. Gulyamov, Alisher Muminov

    ArticleBoron and Carbon Nanomaterials ResearchJournal of the Less Common Metals19790 citations
    ABI

  20. The influence of the electric field on the structure of boron films

    G. V. PANTELEEVA, V.V. Morozkin

    ArticleBoron and Carbon Nanomaterials ResearchJournal of the Less Common Metals19790 citations
    ABI

  21. Theory of the low-temperature susceptibility of spin systems with magnetic anisotropy

    О. Б. Заславский, Vladimir V. Ulyanov, V. M. Tsukernik

    ArticleTheoretical and Computational PhysicsSoviet Journal of Low Temperature Physics19830 citations
    ABI

  22. Transverse focusing of monoenergetic nonequilibrium charge carriers in metals

    V. A. Buldovskiĭ, Yu. A. Kolesnichenko, I. O. Kulik

    ArticleAdvanced Electron Microscopy Techniques and ApplicationsSoviet Journal of Low Temperature Physics19890 citations
    ABI

  23. Determination of Crystal Structures of Metastable Ordered Phases in Ti-N and Zr-N Systems by Method of Neutron Diffraction

    I. Khidirov, I. I. Ktzrbonov, A. Sh. Makhmudov

    ChapterMetal and Thin Film Mechanics19910 citations
    ABI

  24. Magnetic and structural characterization of superconducting sodium-doped C/sub 60/ prepared with the thermal decomposition of sodium azide

    K. Imaeda, I.I. Khairullin, K. Yakushi +1

    ArticleSemiconductor materials and devicesInternational Conference on Science and Technology of Synthetic Metals19940 citations
    ABI

  25. Growth of InAs photodiode structures from metalorganic compounds

    S. S. Kizhaev, M. P. Mikhaĭlova, C. C. Molchanov +2

    ArticleAdvanced Semiconductor Detectors and MaterialsTechnical Physics Letters19980 citations
    ABI