1.Y Wang, J Lv, L Zhu, Y Ma*. Crystal structure prediction via particle-swarm optimization. Phys. Rev. B,82 :094116(2010)
2.Y Wang, J Lv, L Zhu, Y Ma*. CALYPSO: A method for crystal structure prediction. Comput. Phys. Commun.,183 :2063-2070(2012)
3. Q Xu,Y Wang*, Y Ma*, Nonlocal kinetic energy density functional via line integrals and its application to orbital-free density functional theory, Phys. Rev. B 100, 205132(2019)
4. M Xu, C Huang, Y Li*, S Liu, X Zhong, P Jena, E Kan*,Y Wang*. Electrical Control of Magnetic Phase Transition in a Type-I Multiferroic Double-Metal Trihalide Monolayer. Phys. Rev. Lett. 124, 067602(2020)
5. P Huang, H Liu, J Lv, Q Li, C Long,Y Wang*,C Chen*, RJ Hemley*, Y Ma*. Stability of H3O at extreme conditions and implications for the magnetic fields of Uranus and Neptune. Proceedings of the National Academy of Sciences 117, 5638(2020)