主要论文 |
1. Wang R, Sun Y, Antropov V, Lin Z, Wang C-Z, Ho K-M. Theoretical prediction of a highly responsive material: Spin fluctuations and superconductivity in FeNiB2 system. Applied Physics Letters 2019, 115(18): 182601. 2. Wang R, Wu S, Zhang F, Zhao X, Lin Z, Wang C-Z, et al. Stabilizing the crystal structures of NaFePO4 with Li substitutions. Physical Chemistry Chemical Physics 2020, 22(25): 13975-13980. 3. Wang R, Sun Y, Gvozdetskyi V, Zhao X, Zhang F, Xu L-H, et al. Theoretical search for possible Li–Ni–B crystal structures using an adaptive genetic algorithm. Journal of Applied Physics 2020, 127(9): 094902. 4. Wang R, Sun Y, Wentzcovitch RM, Zheng F, Fang Y, Wu S, et al. Prediction of crystal structures and motifs in the Fe–Mg–O system at Earth’s core pressures. New Journal of Physics 2021, 23(6): 063050. 5. Wang R, Sun Y, Zhang F, Zheng F, Fang Y, Wu S, et al. High-Throughput Screening of Strong Electron–Phonon Couplings in Ternary Metal Diborides. Inorganic chemistry 2022, 61(45): 18154-18161. 6. Wang R, Xia W, Slade TJ, Fan X, Dong H, Ho K-M, et al. Machine learning guided discovery of ternary compounds involving La and immiscible Co and Pb elements. npj Computational Materials 2022, 8(1): 258. 7. Wang R, Zheng F, Zhang Z, Wu S, Dong H, Wang C-Z, et al. Anticorrelation between electron-phonon coupling strength and stability of ternary metal diborides. Physical Review B 2025, 111(1): 014104. 8. Sun J, Wang R, Ding Z, Zhang X, Zhang Q, Zhang B, et al. Layered Li–Co–B as a Low-Potential Anode for Lithium-Ion Batteries. Inorganic chemistry 2023, 62(21): 8136-8144. 9. Sun J, Wang R, Liang Y, Zhang B, Wu F, Dong H. Layered Na–Ni–B with Low Volume Expansion for Sodium-Ion Batteries. The Journal of Physical Chemistry C 2024, 128(20): 8161-8168. 10. Lyu W, Wang R. Fe–P networks and the Li insertion extraction induced electrochemical performance in LiFePO$$_{4}$$cathode materials. Ionics 2024, 30(7): 3809-3817. 11. Feng C, Liang Y, Sun J, Wang R, Sun H, Dong H. Predicting miscibility in binary compounds: a machine learning and genetic algorithm study. Physical Chemistry Chemical Physics 2025, 27(8): 4121-4128. 12. Sakurai M, Wang R, Liao T, Zhang C, Sun H, Sun Y, et al. Discovering rare-earth-free magnetic materials through the development of a database. Physical Review Materials 2020, 4(11): 114408. 13. Gvozdetskyi V, Wang R, Xia W, Zhang F, Lin Z, Ho K-M, et al. How to Look for Compounds: Predictive Screening and in situ Studies in Na−Zn−Bi System. Chemistry – A European Journal 2021, 27(64): 15954-15966. 14. Gvozdetskyi V, Bhaskar G, Batuk M, Zhao X, Wang R, Carnahan SL, et al. Computationally Driven Discovery of a Family of Layered LiNiB Polymorphs. Angewandte Chemie International Edition 2019, 58(44): 15855-15862. 15. Bhaskar G, Gvozdetskyi V, Batuk M, Wiaderek KM, Sun Y, Wang R, et al. Topochemical Deintercalation of Li from Layered LiNiB: toward 2D MBene. Journal of the American Chemical Society 2021, 143(11): 4213-4223. 16. Fang Y, Sun Y, Wang R, Zheng F, Wu S, Wang C-Z, et al. Unconventional iron-magnesium compounds at terapascal pressures. Physical Review B 2021, 104(14): 144109. 17. Gvozdetskyi V, Lee SJ, Owens-Baird B, Dolyniuk J-A, Cox T, Wang R, et al. Ternary Zinc Antimonides Unlocked Using Hydride Synthesis. Inorganic chemistry 2021, 60(14): 10686-10697. 18. Bhaskar G, Gvozdetskyi V, Carnahan SL, Wang R, Mantravadi A, Wu X, et al. Path Less Traveled: A Contemporary Twist on Synthesis and Traditional Structure Solution of Metastable LiNi12B8. ACS Materials Au 2022, 2(5): 614-625. 19. Zheng F, Sun Y, Wang R, Fang Y, Zhang F, Da B, et al. Structure and motifs of iron oxides from 1 to 3 TPa. Physical Review Materials 2022, 6(4): 043602. 20. Liao T, Xia W, Sakurai M, Wang R, Zhang C, Sun H, et al. Predicting magnetic anisotropy energies using site-specific spin-orbit coupling energies and machine learning: Application to iron-cobalt nitrides. Physical Review Materials 2022, 6(2): 024402. 21. Sun H, Zhang C, Xia W, Tang L, Wang R, Akopov G, et al. Machine Learning-Guided Discovery of Ternary Compounds Containing La, P, and Group 14 Elements. Inorganic chemistry 2022, 61(42): 16699-16706. 22. Xia W, Sakurai M, Balasubramanian B, Liao T, Wang R, Zhang C, et al. Accelerating the discovery of novel magnetic materials using machine learning–guided adaptive feedback. Proceedings of the National Academy of Sciences 2022, 119(47): e2204485119. 23. Zheng F, Sun Y, Wang R, Fang Y, Zhang F, Wu S, et al. Superconductivity in the Li-B-C system at 100 GPa. Physical Review B 2023, 107(1): 014508. 24. Liao T, Xia W, Sakurai M, Wang R, Zhang C, Sun H, et al. Magnetic iron-cobalt silicides discovered using machine-learning. Physical Review Materials 2023, 7(3): 034410. 25. Gvozdetskyi V, Rana K, Ribeiro RA, Mantravadi A, Adeyemi AN, Wang R, et al. From Layered Antiferromagnet to 3D Ferromagnet: LiMnBi-to-MnBi Magneto-Structural Transformation. Chemistry of Materials 2023, 35(8): 3236-3248. 26. Sun H, Zhang C, Tang L, Wang R, Xia W, Wang C-Z. Molecular dynamics simulation of Fe-Si alloys using a neural network machine learning potential. Physical Review B 2023, 107(22): 224301. 27. Zheng F, Zhang Z, Wu Z, Wu S, Lin Q, Wang R, et al. Prediction of ambient pressure superconductivity in cubic ternary hydrides with MH6 octahedra. Materials Today Physics 2024, 42: 101374. 28. Fang Y, Sun Y, Wang R, Zheng F, Zhang F, Wu S, et al. Structural prediction of Fe-Mg-O compounds at super-Earth's pressures. Physical Review Materials 2023, 7(11): 113602. 29. Zheng F, Sun Y, Wang R, Fang Y, Zhang F, Wu S, et al. Prediction of superconductivity in metallic boron–carbon compounds from 0 to 100 GPa by high-throughput screening. Physical Chemistry Chemical Physics 2023, 25(47): 32594-32601. 30. Liao T, Xia W, Sakurai M, Zhang C, Sun H, Wang R, et al. Machine learning-accelerated discovery of iron cobalt phosphides as rare-earth-free magnets. Physical Review Materials 2024, 8(10): 104404. 31. Xia W, Sakurai M, Liao T, Wang R, Zhang C, Sun H, et al. Machine learning assisted search for Fe–Co–C ternary compounds with high magnetic anisotropy. APL Machine Learning 2024, 2(4). 32. Peng J, Dong H, Zhang J, Wang R, Cui P, Zhang W, et al. Importance of London dispersion force in stabilizing $\mathrm{L}{\mathrm{a}}_{3}\mathrm{N}{\mathrm{i}}_{2}{\mathrm{O}}_{7}$ under hydrostatic or anisotropic pressure. Physical Review B 2024, 110(18): 184514. 33. Sun H, Zhang C, Huang J, Fan X, Xia W, Tang L, et al. Prediction of lanthanide-containing ternary compounds. Computational Materials Science 2025, 251: 113717. 34. Liang X, Peng J, Wu F, Wang R, Yang Y, Li X, et al. Thermally Induced Ion Magnetic Moment in H4O Superionic State. Crystals 2025, 15(4): 304. 35. Xu Z, Zhang J, Peng J, Zhang R, Liang Y, Dong H, et al. Layer-dependent piezoelectricity and stacking effects in 2D CdInGaS4: a first-principles study. Computational Materials Science 2025, 260: 114208. 36. Cox T, Gvozdetskyi V, Bertolami M, Osborn K, Wang R, Ribeiro RA, et al. Bridging Experiment and Theory to Reveal Compounds in K–Zn(Cd)–Bi Systems. Zeitschrift für anorganische und allgemeine Chemie 2025, 651(10): e202500049. |
