{"id":4,"date":"2020-10-05T14:42:13","date_gmt":"2020-10-05T18:42:13","guid":{"rendered":"https:\/\/sites.temple.edu\/xifanwu\/?page_id=4"},"modified":"2026-04-20T10:08:27","modified_gmt":"2026-04-20T14:08:27","slug":"publications-of-xifan-wu","status":"publish","type":"page","link":"https:\/\/sites.temple.edu\/xifanwu\/publications-of-xifan-wu\/","title":{"rendered":"Publications of Xifan Wu"},"content":{"rendered":"\n

Updated on 04\/20\/2026<\/p>\n\n\n\n

83. Chuntian Cao, Boyang Li, Campos Rodriguez, Pace Armando, Kas, Joshua Alexis, Xifan Wu, Lu Ma, Dali Yang, Wei Xu, Shinjae Yoo, Esther Takeuchi, Kenneth Takeuchi, Shan Yan, Amy Marschilok, Deyu Lu, “Deciphering the Solvation Structure of Aqueous ZnCl2<\/sub> Solutions from X-ray Absorption Spectra using Interpretable Graph Neural Network”, The Journal of Physical Chemistry B<\/strong> (accepted, in press) (2026).<\/p>\n\n\n\n

82. Yizhi Song, Renxi Liu, Chunyi Zhang, Yifan Li, Biswajit Santra, Mohan Chen, Michael L. Klein, Xifan Wu, “Understanding the Density Maximum of Water with Machine Learned Potentials”, Science Advances<\/strong> (accepted, in press) (2026). (PDF)<\/a><\/p>\n\n\n\n

81. Kehan Cai, Chunyi Zhang, and Xifan Wu, “Simulations of dielectric permittivity of water by Machine Learned Potentials with long-range Coulombic interactions<\/a> “, The Journal of Chemical Physics<\/strong> 163, 184503 (2025). (PDF<\/a>)<\/p>\n\n\n\n

80. Tiancheng Liang, Liying Zhou, Yizhi Song, Xifan Wu, and Limei Xu, “Ion-specific hydration structures revealed by SCAN-based ab initio<\/em> simulations<\/a>“, Chinese Physics B <\/strong> 34, 126102(2025). (PDF<\/a>)<\/p>\n\n\n\n

79. Yizhi Song, and Xifan Wu, \u201cPressure-Induced Structural and Dielectric Changes in Liquid Water at Room Temperature<\/a>\u201d, The Journal of Chemical Physics<\/strong> <\/strong>162, 114508 (2025). (PDF<\/a>)<\/p>\n\n\n\n

78. Chuntian Cao, Arun Kingan, Ryan C. Hill, Jason Kuang, Lei Wan, Chunyi Zhang, Matthew R. Carbone, Hubertus van Dam, Shinjae Yoo, Shan Yan, Esther S. Takeuchi, Kenneth J. Takeuchi, Xifan Wu, AM Milinda Abeykoon, Amy C. Marschilok, Deyu Lu, \u201cResolving the solvation structure and transport properties of aqueous zinc electrolytes from salt-in-water to water-in-salt using neural network potential<\/a>\u201d, PRX Energy<\/strong> 4, 023004 (2025). (PDF<\/a>)<\/p>\n\n\n\n

77. Fujie Tang, Diana Y. Qiu, Xifan Wu, \u201cOptical absorption spectroscopy probes water wire and its ordering in a hydrogen-bond network<\/a>\u201d, Physical Review X<\/strong> 15, 011048 (2025). (PDF<\/a>) Featured news in Viewpoint of Physics<\/em><\/strong> “Shedding Light on Water Wires<\/a>” by Davide Donadio<\/a> and Giulia Galli<\/a> (2025).<\/p>\n\n\n\n

76. Chunyi Zhang, Marcos Calegari Andrade, Zachary K Goldsmith, Abhinav S Raman, Yifan Li, Pablo Piaggi, Xifan Wu, Roberto Car, Annabella Selloni, “Electrical double layer and capacitance of TiO2 electrolyte interfaces from first principles simulations<\/a>“, Nature Communications<\/strong> 15, 10270 (2024) . (PDF<\/a>)<\/p>\n\n\n\n

75. Fujie Tang, Kefeng Shi, and Xifan Wu, “Exploring the Impact of Ions on Oxygen K-Edge X-ray Absorption Spectroscopy in NaCl Solution using the GW-Bethe-Salpeter-Equation Approach<\/a>“, The Journal of Chemical Physics<\/strong> 159, 174501 (2023). (PDF<\/a>)<\/p>\n\n\n\n

74. Chunyi Zhang, Shuwen Yue, Athanassios Z. Panagiotopoulos, Michael L. Klein, and Xifan Wu, “Why dissolving salt in water decreases its dielectric permittivity<\/a>“, Physical Review Letters<\/strong> 131, 076801 (2023) . (PDF<\/a>) Featured news in Science<\/strong> magazine “Water\u2019s ability to resist an electric field decreases as salinity increases<\/a>” (2023).<\/p>\n\n\n\n

73. Wenfei Li, Qi Ou, Yixiao Chen, Yu Cao, Renxi Liu, Chunyi Zhang, Daye Zheng, Chun Cai, Xifan Wu,
Han Wang, Mohan Chen, and Linfeng Zhang, “DeePKS + ABACUS as a Bridge between Expensive Quantum Mechanical Models and Machine Learning Potentials”<\/a>, The Journal of Physical Chemistry<\/strong> A<\/strong>, 126, 9154-9164 (2022). (PDF)<\/a> <\/p>\n\n\n\n

72. Fujie Tang, Xifan Wu, “Theoretical X-ray Absorption Spectroscopy of Liquid Water Using First-Principles Calculations”<\/a>, Chapter One in Book of Properties of Water from Numerical and Experimental Perspectives<\/strong> CRC Press, 19 October (2022). <\/p>\n\n\n\n

71. Renxi Liu, Chunyi Zhang, Xinyuan Liang, Jianchu Liu, Xifan Wu, and Mohan Chen, “Structural and Dynamic Properties of Solvated Hydroxide and Hydronium Ions in Water from Ab Initio Modeling”<\/a>, The Journal of Chemical Physics<\/strong> 157, 024503 (2022). (PDF<\/a>)<\/p>\n\n\n\n

70. Fujie Tang, Zhenglu Li, Chunyi Zhang, Steven G. Louie, Roberto Car, Diana Y. Qiu, and Xifan Wu, “Many-Body Effects in the X-ray Absorption Spectra of Liquid Water”<\/a>, Proceedings of the National Academy of Sciences of the United States of America<\/strong> 119, e2201258119 (2022). (PDF<\/a>)<\/p>\n\n\n\n

69. Hongwei Wang, Fujie Tang, Massimiliano Stengel, Hongjun Xiang, Qi An, Tony Low, Xifan Wu, “Convert widespread paraelectric perovskite to ferroelectrics”<\/a>, Physical Review Letters<\/strong> 128, 197601 (2022). (PDF<\/a>)<\/p>\n\n\n\n

68. Chunyi Zhang, Shuwen Yue, Athanassios Z. Panagiotopoulos, Michael L. Klein, and Xifan Wu, “Dissolving salt is not equivalent to applying a pressure on water”<\/a>, Nature Communications<\/strong> 13, 822 (2022) . (PDF<\/a>)<\/p>\n\n\n\n

67. Chunyi Zhang, Fujie Tang, Mohan Chen, Jianhang Xu, Linfeng Zhang, Diana Y. Qiu, John P. Perdew, Michael L. Klein, and Xifan Wu, “Modeling liquid water by climbing up Jacob\u2019s ladder in density functional theory facilitated by using deep neural network potentials”<\/a>, The Journal of Physical Chemistry B<\/strong>, 125, 11444-11456 (2021). Selected as cover of the journal<\/a>. (PDF<\/a>)<\/p>\n\n\n\n

66. Fujie Tang, Jianhang Xu, Diana Y. Qiu, Xifan Wu, “Nuclear quantum effects on the quasiparticle properties of the chloride anion aqueous solution within the GW approximation”<\/a>, Physical Review B<\/strong> 104, 035117 (2021). (PDF<\/a>)<\/p>\n\n\n\n

65. Jianhang Xu, Zhaoru Sun, Chunyi Zhang, Mark DelloStritto, Deyu Lu,  Michael L. Klein, and Xifan Wu, “Importance of nuclear quantum effects on the hydration of chloride ion”<\/a>, Physical Review Materials (<\/strong>Letters)<\/strong> 5, L012801 (2021). (PDF<\/a>)<\/p>\n\n\n\n

64. Jianhang Xu, Chunyi Zhang, Linfeng Zhang, Mohan Chen, Biswajit Santra, and Xifan Wu, “Isotope effects on molecular structures and electronic properties of liquid water via deep potential molecular dynamics based on SCAN functional”<\/a>, Physical Review B<\/strong> 102, 214113 (2020). ( PDF<\/a>).<\/p>\n\n\n\n

63. Shanshan Yang, Mohan Chen, Yudan Su, Jianhang Xu, Xifan Wu*, and Chuanshan Tian*, “Stabilization of hydroxide ions at the interface of a hydrophobic monolayer on water via reduced proton transfer”<\/a>, Physical Review Letters <\/strong>125, 156803 (2020). (PDF<\/a>)<\/p>\n\n\n\n

62. Chunyi Zhang, Linfeng Zhang, Jianhang Xu, Fujie Tang, Biswajit Santra, and Xifan Wu, “Isotope effects in x-ray absorption spectra of liquid water”<\/a>, Physical Review B<\/strong> 102, 115155 (2020). ( PDF<\/a>).<\/p>\n\n\n\n

61. Jianqing Guo, L. Zhou, A. Zen, A. Michaelides, Xifan Wu, E. Wang, L. Xu, and J. Chen, “Hydration of NH4<\/sub>+<\/sup> in Water: Bifurcated Hydrogen Bonding Structures and Fast Rotational Dynamics”<\/a>, Physical Review Letters <\/strong>125, 106001 (2020). ( PDF<\/a>).<\/p>\n\n\n\n

60. Linfeng Zhang, Mohan Chen, Xifan Wu, Han Wang, Weinan E, and Roberto Car, “Deep neural network for the dielectric response of insulators”<\/a>, Physical Review B<\/strong> 102, 041121(R) (2020). (PDF<\/a>)<\/p>\n\n\n\n

59. Hongwei Wang, Fujie Tang, Pratikkumar Dhuvad, and Xifan Wu, “Interface enhanced functionalities in oxide superlattices under mechanical and electric boundary conditions”<\/a>, npj Computational Materials<\/strong> (review) 6, 52 (2020). (PDF<\/a>)<\/p>\n\n\n\n

58. Hsin-Yu Ko, Junteng Jia, Biswajit Santra, Xifan Wu, Roberto Car, and Robert A. DiStasio, Jr. Enabling Large-Scale Condensed-Phase Hybrid Density Functional Theory Based Ab Initio Molecular Dynamics. 1. Theory, Algorithm, and Performance<\/a><\/q>, Journal of Chemical Theory and Computation<\/strong> 16, 3757 (2020). (PDF<\/a>)<\/p>\n\n\n\n

57. Fujie Tang, Xuanyuan Jiang, Hsin-Yu Ko, Jianhang Xu, Mehmet Topsakal, Guanhua Hao, Alpha T. N’Diaye, Peter A. Dowben, Deyu Lu, Xiaoshan Xu, and Xifan Wu, Probe Ferroelectricity by X-ray Absorption Spectroscopy in Molecular Crystal<\/a><\/q>, Physical Review Materials<\/strong> 4, 034401 (2020) (PDF<\/a>)<\/p>\n\n\n\n

56. Mark DelloStritto, Jianhang Xu, Xifan Wu, Michael L. Klein, Aqueous solvation of the chloride ion revisited with density functional theory: impact of correlation and exchange approximations<\/a><\/q>, Physical Chemistry Chemical Physics<\/strong> 22, 10666 (2020). (PDF<\/a>)<\/p>\n\n\n\n

55. Tatsuhiko Ohto, Mayank Dodia, Jianhang Xu, Sho Imoto, Fujie Tang, Frederik Zysk, Thomas D. Kuhne, Yasuteru Shigeta, Mischa Bonn, Xifan Wu, and Yuki Nagata, Accessing the Accuracy of Density Functional Theory through Structure and Dynamics of the Water-Air Interface<\/a><\/q>, The<\/strong> Journal of Physical Chemistry Letters<\/strong> 10, 4914 (2019). (PDF<\/a>)<\/p>\n\n\n\n

54. Jianhang Xu, Mohan Chen, Cui Zhang, and Xifan Wu, First-principles studies of the infrared spectra in liquid water from a systematically improved description of H-bond network<\/a><\/q>, Physical Review B<\/strong> 99, 205123 (2019). (PDF<\/a>)<\/p>\n\n\n\n

53. Liying Zhou, Jianhang Xu, Limei Xu, and Xifan Wu, Importance of van der Waals effects on the hydration of metal ions from the Hofmeister series<\/a><\/q>, The Journal of Chemical Physics<\/strong> 150, 124505 (2019). (PDF<\/a>)<\/p>\n\n\n\n

52. Kishan Sinha, Haohan Wang, Xiao Wang, Liying Zhou, Yuewei Yin, Wenbin Wang, Xuemei Cheng, David J Keavney, Huibo Cao, Yaohua Liu, Xifan Wu, and Xiaoshan Xu, Tuning the Neel Temperature of Hexagonal Ferrites by Structural Distortion<\/a><\/q>, Physical Review Letters<\/strong> 121, 237203 (2018). (PDF<\/a>)<\/p>\n\n\n\n

51. Zhaoru Sun, Lixin Zheng, Mohan Chen, Michael L. Klein, Francesco Paesani, and Xifan Wu, Electron-hole theory of the effect of quantum nuclei on the X-ray absorption spectra of liquid water<\/a><\/q>,  Physical Review Letters<\/strong> 121, 137401 (2018). (PDF<\/a>)<\/p>\n\n\n\n

50. Daesu Lee, Hongwei Wang, Brenton A. Noesges, Thaddeus Asel, Jinbo Pan, Qimin Yan, Leonard Brillson, Xifan Wu, and Chang-Beom Eom, Identification of a functional point defect in SrTiO3<\/sub><\/a><\/q>,  Physical Review Materials<\/strong> 2, 060403 (R) (2018). (PDF<\/a>)<\/p>\n\n\n\n

49. Lixin Zheng, Mohan Chen, Zhaoru Sun, Hsin-Yu Ko, Biswajit Santra, Pratikkumar Dhuvad, and Xifan Wu, Structural, Electronic, and Dynamical Properties of Liquid Water by ab initio Molecular Dynamics based on SCAN Functional within the Canonical Ensemble<\/a><\/q>,  The Journal of Chemical Physics<\/strong> 148, 164505 (2018). (PDF<\/a>)<\/p>\n\n\n\n

48. Mohan Chen, Lixin Zheng, Biswajit Santra, Hsin-Yu Ko, Robert A. DiStasio Jr., Michael L. Klein, Roberto Car, and Xifan Wu, Hydroxide diffuses slower than hydronium in water because its solvated structure inhibits correlated proton transfer<\/a><\/q>, Nature Chemistry<\/strong> 10, 413 (2018). See News and Views in Nature Chemistry, Sticky when wet<\/q> <\/a>and News in Chemistryworld by Royal Society of Chemistry, Simulations solve 200-year-old ionic mystery of water<\/q>.<\/a><\/p>\n\n\n\n

47. Huaze Shen, Mohan Chen, Zhaoru Sun, Limei Xu, Enge Wang and Xifan Wu, Signature of the hydrogen-bonded environment of liquid water in X-ray emission spectra from first-principles calculations<\/a><\/q>,  Frontiers of Physics<\/strong> 13, 138204 (2018). (PDF)<\/p>\n\n\n\n

46. P. Giannozzi, O. Andreussi, T. Brummec, O. Bunaud,…, X. Wu, S. Baroni, Advanced capabilities for materials modelling with Quantum ESPRESSO<\/a><\/q>, Journal of Physics: Condensed Matter<\/strong> 29, 465901 (2017). (PDF)<\/p>\n\n\n\n

45. Mohan Chen, Hsin-Yu Ko, Richard C. Remsing, Marcos F. Calegari Andrade, Biswajit Santra, Zhaoru Sun, Annabella Selloni, Roberto Car, Michael L. Klein, John P. Perdew and Xifan Wu, Ab initio theory and modeling of water<\/a><\/q>,  Proceedings of the National Academy of Sciences<\/strong> 114, 10846 (2017). (PDF<\/a>)<\/p>\n\n\n\n

44. Zhaoru Sun, Mohan Chen, Lixin Zheng, Jianping Wang, Biswajit Santra, Huaze Shen, Limei Xu, Wei Kang, Michael L. Klein and Xifan Wu, X-ray absorption of liquid water by advanced ab initio<\/em> methods<\/a><\/q>,  Physical Review B<\/strong> 96, 104202 (2017). (PDF<\/a>)<\/p>\n\n\n\n

43. Hongwei Wang, Lixin He, Hong Jiang, Cameron Steele and Xifan Wu, Electronic origin of the spin-phonon coupling effect in transition-metal perovskites<\/a><\/q>, Physical Review B<\/strong> 96, 075121 (2017). (PDF<\/a>)<\/p>\n\n\n\n

42. Yubo Zhang, Jianwei Sun, John P. Perdew, and Xifan Wu, Comparative first-principles studies of prototypical ferroelectric materials by LDA, GGA, and SCAN meta-GGA<\/a><\/q>,  Physical Review B<\/strong> 96, 035143 (2017). (PDF<\/a>)<\/p>\n\n\n\n

41. Kishan Sinha, Yubo Zhang, Xuanyuan Jiang, Hongwei Wang, Xiao Wang, Xiaozhe Zhang, Philip J. Ryan, Jong-Woo Kim, John Bowlan, Dmitry A. Yarotski, Yuelin Li, Anthony D. DiChiara, Xuemei Cheng, Xifan Wu and Xiaoshan Xu, Effects of biaxial strain on the improper multiferroicity in h<\/em>-LuFeO3<\/sub> films studied using the restrained thermal expansion method<\/q>,<\/a> Physical Review B<\/strong> 95, 094110 (2017). (PDF<\/a>)<\/p>\n\n\n\n

40. Jianwei Sun, Richard C. Remsing, Yubo Zhang, Zhaoru Sun, Adrienn Ruzsinszky, Haowei Peng, Zenghui Yang, Arpita Paul, Umesh Waghmare, Xifan Wu, Michael L. Klein and John P. Perdew, Accurate first-principles structures and energies of diversely bonded systems from an efficient density functional<\/a><\/q>, Nature Chemistry<\/strong> 8, 831 (2016).<\/p>\n\n\n\n

39. Hongwei Wang, Jianguo Wen, Dean J. Miller, Q. Zhou, Ho Nyung Lee, Karin M. Rabe and Xifan Wu, Stabilization of Highly Polar BiFeO3<\/sub>-like Structure: A New Interface Design Route for Enhanced Ferroelectricity in Artificial Perovskite Superlattices<\/a><\/q>, Physical Review X<\/strong> 6, 011027 (2016) [PDF<\/a>]. See related Viewpoint in Physics, When One Plus One is More than Two<\/q> by Javier Junquera<\/a>.<\/p>\n\n\n\n

38. Dominic Imbrenda, Dongyue Yang, Hongwei Wang, Andrew R. Akbashev, Leila Kasaei, Bruce A. Davidson, Xifan Wu, Xiaoxing Xi and Jonathan E. Spanier, Surface- and strain-tuning of the optical dielectric function in epitaxially grown CaMnO3<\/sub><\/a><\/q>, Applied Physics Letters<\/strong> 108, 082902 (2016). (PDF<\/a>)<\/p>\n\n\n\n

37. D. Lee, H. Lu, Y. Gu, S.-Y. Choi, S.-D. Li, S. Ryu, T. R. Paudel, K. Song, E. Mikheev, S. Lee, S. Stemmer, D. A. Tenne, S. H. Oh, E. Y. Tsymbal, X. Wu, L.-Q. Chen, A. Gruverman, C. B. Eom, Emergence of room-temperature ferroelectricity at reduced dimensions<\/q><\/a>, Science<\/strong> 349, 1314 (2015).<\/p>\n\n\n\n

36. X. Z. Lu, Xifan Wu and H. J. Xiang, General microscopic model of magnetoelastic coupling from first principles<\/a><\/q>, Physical Review B<\/strong> 91, 100405(R) (2015) . (PDF<\/a>)<\/p>\n\n\n\n

35. Arindam Bankura, Biswajit Santra, Robert A. DiStasio Jr., Charles W. Swartz, Michael L. Klein, Xifan Wu, A Systematic Study of Chloride Ion Solvation in Water using van der Waals Inclusive Hybrid Density Functional Theory<\/a><\/q>, Molecular Physics<\/strong> 113, 2842 (2015). (PDF<\/a>)<\/p>\n\n\n\n

34. Hongwei Wang, Lixin He, and Xifan Wu, Room temperature multiferroism in CaTcO3<\/sub> by interface engineering<\/a><\/q>, Computational Materials Science<\/strong> 96,171 (2015). (PDF<\/a>)<\/p>\n\n\n\n

33. Robert A. DiStasio Jr., Biswajit Santra, Zhaofeng Li, Xifan Wu and Roberto Car, The individual and collective effects of exact exchange and dispersion interactions on the ab initio structure of liquid water<\/a><\/q>, The Journal of Chemical Physics<\/strong>, 141, 084502 (2014) . (PDF<\/a>)<\/p>\n\n\n\n

32. Hongwei Wang, Igor V. Solovyev, Wenbin Wang, Xiao Wang, Philip J. Ryan, David J. Keavney, Jong-Woo Kim, Thomas Z. Ward, Leyi Zhu, Jian Shen, X. M. Cheng, Lixin He, Xiaoshan Xu, and Xifan Wu, Structural and electronic origin of the magnetic structures in hexagonal LuFeO3<\/sub><\/a><\/q>, Physical Review B<\/strong>, 90, 014436 (2014) . (PDF<\/a>)<\/p>\n\n\n\n

31. Charles Swartz and Xifan Wu, Ab initio studies of ionization potentials of hydrated hydroxide and hydronium<\/a><\/q>, Physical Review Letters<\/strong> 111, 087801 (2013). (PDF<\/a>)<\/p>\n\n\n\n

30. Hongwei Wang, Lixin He and Xifan Wu, Interface enhancement of spin-polar phonon coupling in perovskite multiferroic superlattices<\/a><\/q>, Europhysics Letters<\/strong> 100, 17005 (2012). (PDF<\/a>)<\/p>\n\n\n\n

29. Charles Swartz and Xifan Wu, Modeling functional piezoelectricity in perovskite superlattices with competing instabilities<\/q>,<\/a> Physical Review B<\/strong> 85, 054102 (2012). (PDF<\/a>)<\/p>\n\n\n\n

28. Wenbin Wang, Hongwei Wang, Xiaoying Xu, Leyi Zhu, Lixin He, Elizabeth Wills, Xuemei Cheng, David J. Keavney, Jian Shen, Xifan Wu and Xiaoshan Xu, Crystal field splitting and optical band gap of hexagonal LuFeO3<\/sub> films<\/a><\/q>, Applied Physics Letters <\/strong>101, 241907 (2012). (PDF<\/a>)<\/p>\n\n\n\n

27. Lingzhu Kong, Xifan Wu and Roberto Car, Roles of quantum nuclei and inhomogeneous screening in the x-ray absorption spectra of water and ice<\/a><\/q>, Physical Review B<\/strong> 86, 134203 (2012). (PDF<\/a>)<\/p>\n\n\n\n

26. Jia Chen, Xifan Wu and Annabella Selloni, Electronic structure and bonding properties of cobalt oxide in the spinel structure<\/a><\/q>, Physical Review B<\/strong> 83, 245204 (2011). (PDF<\/a>)<\/p>\n\n\n\n

25. Xifan Wu, Karin M. Rabe, David Vanderbilt, Interfacial enhancement of ferroelectricity in CaTiO3<\/sub>\/BaTiO3<\/sub> superlattices<\/a><\/q>, Physical Review B<\/strong> 83, 020104 (2011). (PDF<\/a>)<\/p>\n\n\n\n

24. Wei Chen, Xifan Wu, Roberto Car, X-ray absorption signatures of the molecular environment in water and ice<\/a><\/q>, Physical Review Letters<\/strong> 105, 017802 (2010). (PDF<\/a>)<\/p>\n\n\n\n

23. Xifan Wu, Eric J. Walter, Andrew M. Rappe, Roberto Car and Annabella Selloni, Hybrid density functional calculations of the band gap of Gax<\/sub>In1-x<\/sub>N<\/a><\/q>, Physical Review B<\/strong> 80, 115201 (2009). (PDF<\/a>)<\/p>\n\n\n\n

22. Xifan Wu, Annabella Selloni, and Roberto Car, Order N implementation of exact exchange in extended insulating system<\/a><\/q>,  Physical Review B<\/strong> 79, 085102 (2009) [PDF<\/a>] (Editors’ Suggestions and selected for synopsis in Physics).<\/p>\n\n\n\n

21. Xifan Wu, Massimiliano Stengel, Karin M. Rabe, and David Vanderbilt, Predicting polarization and nonlinear dielectric response of arbitrary perovskite superlattice sequence<\/a><\/q>, Physical Review Letters<\/strong> 101, 087601 (2008) [PDF<\/a>] (Editors’ Suggestions).<\/p>\n\n\n\n

20. Xifan Wu, Oswaldo Dieguez, Karin M. Rabe, and David Vanderbilt, Wannier-based defnition of layer polarizations in perovskite superlattices<\/a><\/q>, Physical Review Letters<\/strong> 97, 107602 (2006). (PDF<\/a>)<\/p>\n\n\n\n

19. Xifan Wu and David Vanderbilt, Theory of hypothetical ferroelectric superlattices incorporating head-to-head and tail-to-tail 180 degree domain walls<\/a><\/q>, Physical Review B<\/strong> 73, 020103(R) (2006).(PDF<\/a>)<\/p>\n\n\n\n

18. Gabriel Bester, Alex Zunger, Xifan Wu, and David Vanderbilt, Effect of linear and non-linear piezoelectricity on the electronic properties of InAs\/GaAs quantum dots<\/a><\/q>, Physical Review B<\/strong> 74, 081305 (2006). (PDF<\/a>)<\/p>\n\n\n\n

17. Gabriel Bester, Xifan Wu, Alex Zunger, and David Vanderbilt, Importance of second-order piezoelectric effects in zincblende semiconductors<\/a><\/q>, Physical Review Letters<\/strong> 96, 187602 (2006).(PDF<\/a>)<\/p>\n\n\n\n

16. Xifan Wu, David Vanderbilt, and D. R. Hamann, Systematic treatment of displacements, strains and electric fields in density-functional perturbation theory<\/a><\/q>, Physical Review B<\/strong> 72, 035105 (2005).(PDF<\/a>)<\/p>\n\n\n\n

15. D. R. Hamann, Xifan Wu, Karin M. Rabe, and David Vanderbilt, Metric tensor formulation of strain in density-functional perturbation theory<\/a><\/q>,  Physical Review B<\/strong> 71, 035117 (2005) [PDF<\/a>].<\/p>\n\n\n\n

Undergraduate Research Publications<\/strong><\/p>\n\n\n\n

14. X. Wu, H. Luo, H. Luo, Y. Liu, T. Yang, X. Leng, L. Qiu and S. Ding, Peak effect of La0.9Pr0.1Ba2Cu2.62Al0.38O7-y, single crystal, Superconductor Science and Technology 15, 385 (2002).<\/p>\n\n\n\n

13. H. Luo, X. Wu, C. M. Lee, T. Yang, X. Leng, Y. Liu, L. Qiu, H. Luo, Z. Wang, and S. Ding, AC losses of superconductor MgB2, Superconductor Science and Technology 15, 370 (2002).<\/p>\n\n\n\n

12. H. Luo, X. Wu, J. Shi, S. Ding, A study of the memory effect in ultra-pure YBa2Cu3O6.993, Superconductor Science and Technology 15, 917 (2002).<\/p>\n\n\n\n

11. X. Wu, H. Luo, S. Ding, Y. Zhang, T. Yang, Y. Liu and Z. Wang, Study of history effect of vortex matter by AC susceptibility, Journal of Superconductivity, 14, 501 (2001).<\/p>\n\n\n\n

10. S. Ding, X. Wu, Z. Wang, H. Luo, Historical dip effect, Physica C 364-365, 416 (2001).<\/p>\n\n\n\n

9. S. Ding and X. Wu, Peak, dip and history effects of vortex matter, International Journal of Modern Physics B 15, 1213 (2001).<\/p>\n\n\n\n

8. Y. Zhang, H. Luo, X. Wu, and S. Ding, Effect of flux creep on Ic measurement of electric transport, Superconductor Science and Technology, 14, 346 (2001).<\/p>\n\n\n\n

7. S. Ding, Y. Liu, X. Wu, F. Lin, Z. Wang and L. Qiu, The effect of the geometric factor on the V-I curve of Tl2212 film, Journal of Physics: Condensed Matter, 13, 6509 (2001).<\/p>\n\n\n\n

6. H. Luo, S. Ding, X. Wu, Z. Wang, H. Luo, The numerical study of influence of flux creep on AC losses in superconductors, Journal of Superconductivity, 14, 631 (2001).<\/p>\n\n\n\n

5. Y. Zhang, Z. Wang, H. Luo, X. Wu, H. Luo, Z. Xu, and S. Ding, Study of the relationship between the V-I curve and the flux dynamics in superconductors, Journal of Physics: Condensed Matter, 13, 2583 (2001).<\/p>\n\n\n\n

4. X. Wu, S. Ding, P. Zhang, Y. Zhang, F. Lin, H. Luo, L. Qiu, X. Yao and G. Gu, Distribution of barriers of vortex matter at different temperature in single crystal Bi2212, Physica C, 333, 207 (2000).<\/p>\n\n\n\n

3. X. Wu, S. Ding, P. Zhang, F. Lin, Y. Zhang and Z. Wang, The dip effect in ac susceptibility from bulk pinning, Physica C, 341-348 , 1287 (2000).<\/p>\n\n\n\n

2. P. Zhang, S. Ding, X. Wu, L. Qiu, Z. Wang, C. Ren, S. A. Aruna, X. Yao, and J. Shi, Numerical calculation of the dip effect in high-Tc single crystals from bulk pinning, Physical Review B, 62, 5374 (2000).<\/p>\n\n\n\n

1. Y. Zhang, S. Ding, X. Wu, Q. Ding, F. Lin, H. Luo, L. Qiu, Z. Wang and Z. Xu, The effects of field and temperature on V-I curve for Ag-Bi2223 tape, Physica C, 341-348, 1241 (2000). <\/p>\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n

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Updated on 04\/20\/2026 83. Chuntian Cao, Boyang Li, Campos Rodriguez, Pace Armando, Kas, Joshua Alexis, Xifan Wu, Lu Ma, Dali Yang, Wei Xu, Shinjae Yoo,…<\/p>\n

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