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Xifan Wu - Publications

Affiliations: 
Physics Temple University, Philadelphia, PA, United States 
Area:
General Physics, Condensed Matter Physics, Quantum Physics
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50 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2023 Tang F, Shi K, Wu X. Exploring the impact of ions on oxygen K-edge X-ray absorption spectroscopy in NaCl solution using the GW-Bethe-Salpeter-equation approach. The Journal of Chemical Physics. 159. PMID 37909453 DOI: 10.1063/5.0167999  0.347
2023 Zhang C, Yue S, Panagiotopoulos AZ, Klein ML, Wu X. Why Dissolving Salt in Water Decreases Its Dielectric Permittivity. Physical Review Letters. 131: 076801. PMID 37656852 DOI: 10.1103/PhysRevLett.131.076801  0.31
2022 Liu R, Zhang C, Liang X, Liu J, Wu X, Chen M. Structural and dynamic properties of solvated hydroxide and hydronium ions in water from ab initio modeling. The Journal of Chemical Physics. 157: 024503. PMID 35840383 DOI: 10.1063/5.0094944  0.346
2022 Tang F, Li Z, Zhang C, Louie SG, Car R, Qiu DY, Wu X. Many-body effects in the X-ray absorption spectra of liquid water. Proceedings of the National Academy of Sciences of the United States of America. 119: e2201258119. PMID 35561212 DOI: 10.1073/pnas.2201258119  0.675
2022 Zhang C, Yue S, Panagiotopoulos AZ, Klein ML, Wu X. Dissolving salt is not equivalent to applying a pressure on water. Nature Communications. 13: 822. PMID 35145131 DOI: 10.1038/s41467-022-28538-8  0.321
2021 Zhang C, Tang F, Chen M, Xu J, Zhang L, Qiu DY, Perdew JP, Klein ML, Wu X. Modeling Liquid Water by Climbing up Jacob's Ladder in Density Functional Theory Facilitated by Using Deep Neural Network Potentials. The Journal of Physical Chemistry. B. PMID 34533960 DOI: 10.1021/acs.jpcb.1c03884  0.437
2020 Guo J, Zhou L, Zen A, Michaelides A, Wu X, Wang E, Xu L, Chen J. Hydration of NH_{4}^{+} in Water: Bifurcated Hydrogen Bonding Structures and Fast Rotational Dynamics. Physical Review Letters. 125: 106001. PMID 32955332 DOI: 10.1103/Physrevlett.125.106001  0.425
2020 Ko HY, Jia J, Santra B, Wu X, Car R, DiStasio RA. Enabling Large-Scale Condensed-Phase Hybrid Density Functional Theory Based Molecular Dynamics I: Theory, Algorithm, and Performance. Journal of Chemical Theory and Computation. PMID 32045232 DOI: 10.1021/Acs.Jctc.9B01167  0.754
2020 DelloStritto M, Xu J, Wu X, Klein ML. Aqueous solvation of the chloride ion revisited with density functional theory: impact of correlation and exchange approximations. Physical Chemistry Chemical Physics : Pccp. PMID 32016194 DOI: 10.1039/C9Cp06821J  0.462
2020 Tang F, Jiang X, Ko H, Xu J, Topsakal M, Hao G, N'Diaye AT, Dowben PA, Lu D, Xu X, Wu X. Probing ferroelectricity by x-ray absorption spectroscopy in molecular crystals Physical Review Materials. 4. DOI: 10.1103/Physrevmaterials.4.034401  0.37
2020 Zhang L, Chen M, Wu X, Wang H, E W, Car R. Deep neural network for the dielectric response of insulators Physical Review B. 102. DOI: 10.1103/Physrevb.102.041121  0.673
2019 Ohto T, Dodia M, Xu J, Imoto S, Tang F, Zysk F, Kuehne TD, Shigeta Y, Bonn M, Wu X, Nagata Y. Accessing the Accuracy of Density Functional Theory through Structure and Dynamics of the Water-Air Interface. The Journal of Physical Chemistry Letters. PMID 31393136 DOI: 10.1021/Acs.Jpclett.9B01983  0.48
2019 Zhou L, Xu J, Xu L, Wu X. Importance of van der Waals effects on the hydration of metal ions from the Hofmeister series. The Journal of Chemical Physics. 150: 124505. PMID 30927898 DOI: 10.1063/1.5086939  0.399
2019 Xu J, Chen M, Zhang C, Wu X. First-principles study of the infrared spectrum in liquid water from a systematically improved description of H-bond network Physical Review B. 99. DOI: 10.1103/Physrevb.99.205123  0.496
2018 Sun Z, Zheng L, Chen M, Klein ML, Paesani F, Wu X. Electron-Hole Theory of the Effect of Quantum Nuclei on the X-Ray Absorption Spectra of Liquid Water. Physical Review Letters. 121: 137401. PMID 30312094 DOI: 10.1103/Physrevlett.121.137401  0.452
2018 Zheng L, Chen M, Sun Z, Ko HY, Santra B, Dhuvad P, Wu X. Structural, electronic, and dynamical properties of liquid water by ab initio molecular dynamics based on SCAN functional within the canonical ensemble. The Journal of Chemical Physics. 148: 164505. PMID 29716217 DOI: 10.1063/1.5023611  0.786
2018 Chen M, Zheng L, Santra B, Ko HY, DiStasio RA, Klein ML, Car R, Wu X. Hydroxide diffuses slower than hydronium in water because its solvated structure inhibits correlated proton transfer. Nature Chemistry. PMID 29531374 DOI: 10.1038/S41557-018-0010-2  0.743
2017 Giannozzi P, Andreussi O, Brumme T, Bunau O, Buongiorno Nardelli M, Calandra M, Car R, Cavazzoni C, Ceresoli D, Cococcioni M, Colonna N, Carnimeo I, Dal Corso A, de Gironcoli S, Delugas P, ... ... Wu X, et al. Advanced capabilities for materials modelling with Quantum ESPRESSO. Journal of Physics. Condensed Matter : An Institute of Physics Journal. 29: 465901. PMID 29064822 DOI: 10.1088/1361-648X/Aa8F79  0.774
2017 Chen M, Ko HY, Remsing RC, Calegari Andrade MF, Santra B, Sun Z, Selloni A, Car R, Klein ML, Perdew JP, Wu X. Ab initio theory and modeling of water. Proceedings of the National Academy of Sciences of the United States of America. PMID 28973868 DOI: 10.1073/Pnas.1712499114  0.762
2017 Andreussi O, Brumme T, Bunau O, Buongiorno Nardelli M, Calandra M, Car R, Cavazzoni C, Ceresoli D, Cococcioni M, Colonna N, Carnimeo I, Dal Corso A, de Gironcoli S, Delugas P, DiStasio R, ... ... Wu X, et al. Advanced capabilities for materials modelling with Quantum ESPRESSO. Journal of Physics. Condensed Matter : An Institute of Physics Journal. PMID 28952966 DOI: 10.1088/1361-648X/aa8f79  0.777
2017 Sun Z, Chen M, Zheng L, Wang J, Santra B, Shen H, Xu L, Kang W, Klein ML, Wu X. X-ray absorption of liquid water by advanced ab initio methods Physical Review B. 96. DOI: 10.1103/Physrevb.96.104202  0.744
2017 Wang H, He L, Jiang H, Steele C, Wu X. Electronic origin of the spin-phonon coupling effect in transition-metal perovskites Physical Review B. 96. DOI: 10.1103/Physrevb.96.075121  0.52
2017 Zhang Y, Sun J, Perdew JP, Wu X. Comparative first-principles studies of prototypical ferroelectric materials by LDA, GGA, and SCAN meta-GGA Physical Review B. 96. DOI: 10.1103/Physrevb.96.035143  0.417
2017 Shen H, Chen M, Sun Z, Xu L, Wang E, Wu X. Signature of the hydrogen-bonded environment of liquid water in X-ray emission spectra from first-principles calculations Frontiers of Physics. 13. DOI: 10.1007/S11467-017-0700-Z  0.453
2016 Sun J, Remsing RC, Zhang Y, Sun Z, Ruzsinszky A, Peng H, Yang Z, Paul A, Waghmare U, Wu X, Klein ML, Perdew JP. Accurate first-principles structures and energies of diversely bonded systems from an efficient density functional. Nature Chemistry. 8: 831-6. PMID 27554409 DOI: 10.1038/Nchem.2535  0.412
2016 Wang H, Wen J, Miller DJ, Zhou Q, Chen M, Lee HN, Rabe KM, Wu X. Stabilization of highly polar BiFeO3-like structure: A new interface design route for enhanced ferroelectricity in artificial perovskite superlattices Physical Review X. 6. DOI: 10.1103/Physrevx.6.011027  0.337
2015 Lee D, Lu H, Gu Y, Choi SY, Li SD, Ryu S, Paudel TR, Song K, Mikheev E, Lee S, Stemmer S, Tenne DA, Oh SH, Tsymbal EY, Wu X, et al. Emergence of room-temperature ferroelectricity at reduced dimensions. Science (New York, N.Y.). 349: 1314-1317. PMID 26383947 DOI: 10.1126/Science.Aaa6442  0.326
2015 Lu XZ, Wu X, Xiang HJ. General microscopic model of magnetoelastic coupling from first principles Physical Review B. 91. DOI: 10.1103/Physrevb.91.100405  0.339
2015 Bankura A, Santra B, DiStasio RA, Swartz CW, Klein ML, Wu X. A systematic study of chloride ion solvation in water using van der Waals inclusive hybrid density functional theory Molecular Physics. DOI: 10.1080/00268976.2015.1059959  0.743
2015 Wang H, He L, Wu X. Room temperature multiferroism in CaTcO3 by interface engineering Computational Materials Science. 96: 171-177. DOI: 10.1016/J.Commatsci.2014.09.011  0.496
2014 DiStasio RA, Santra B, Li Z, Wu X, Car R. The individual and collective effects of exact exchange and dispersion interactions on the ab initio structure of liquid water. The Journal of Chemical Physics. 141: 084502. PMID 25173016 DOI: 10.1063/1.4893377  0.799
2014 Wang H, Solovyev IV, Wang W, Wang X, Ryan PJ, Keavney DJ, Kim J, Ward TZ, Zhu L, Shen J, Cheng XM, He L, Xu X, Wu X. Publisher's Note: Structural and electronic origin of the magnetic structures in hexagonalLuFeO3[Phys. Rev. B90, 014436 (2014)] Physical Review B. 90. DOI: 10.1103/Physrevb.90.059903  0.495
2014 Wang H, Solovyev IV, Wang W, Wang X, Ryan PJ, Keavney DJ, Kim JW, Ward TZ, Zhu L, Shen J, Cheng XM, He L, Xu X, Wu X. Structural and electronic origin of the magnetic structures in hexagonal LuFeO3 Physical Review B - Condensed Matter and Materials Physics. 90. DOI: 10.1103/Physrevb.90.014436  0.53
2013 Swartz CW, Wu X. Ab initio studies of ionization potentials of hydrated hydroxide and hydronium. Physical Review Letters. 111: 087801. PMID 24010478 DOI: 10.1103/Physrevlett.111.087801  0.398
2012 Wang H, He L, Wu X. Interface enhancement of spin-polar phonon coupling in perovskite multiferroic superlattices Epl (Europhysics Letters). 100: 17005. DOI: 10.1209/0295-5075/100/17005  0.502
2012 Kong L, Wu X, Car R. Roles of quantum nuclei and inhomogeneous screening in the x-ray absorption spectra of water and ice Physical Review B - Condensed Matter and Materials Physics. 86. DOI: 10.1103/Physrevb.86.134203  0.669
2012 Wang W, Wang H, Xu X, Zhu L, He L, Wills E, Cheng X, Keavney DJ, Shen J, Wu X. Crystal field splitting and optical bandgap of hexagonal LuFeO3 films Applied Physics Letters. 101. DOI: 10.1063/1.4771601  0.477
2011 Chen J, Wu X, Selloni A. Electronic structure and bonding properties of cobalt oxide in the spinel structure Physical Review B - Condensed Matter and Materials Physics. 83. DOI: 10.1103/Physrevb.83.245204  0.387
2011 Wu X, Rabe KM, Vanderbilt D. Interfacial enhancement of ferroelectricity in CaTiO3/BaTiO 3 superlattices Physical Review B - Condensed Matter and Materials Physics. 83. DOI: 10.1103/Physrevb.83.020104  0.507
2010 Chen W, Wu X, Car R. X-ray absorption signatures of the molecular environment in water and ice. Physical Review Letters. 105: 017802. PMID 20867480 DOI: 10.1103/Physrevlett.105.017802  0.683
2009 Wu X, Walter EJ, Rappe AM, Car R, Selloni A. Hybrid density functional calculations of the band gap of Gax In1-x N Physical Review B - Condensed Matter and Materials Physics. 80. DOI: 10.1103/Physrevb.80.115201  0.652
2009 Wu X, Selloni A, Car R. Order- N implementation of exact exchange in extended insulating systems Physical Review B - Condensed Matter and Materials Physics. 79. DOI: 10.1103/Physrevb.79.085102  0.648
2008 Wu X, Stengel M, Rabe KM, Vanderbilt D. Predicting polarization and nonlinear dielectric response of arbitrary perovskite superlattice sequences. Physical Review Letters. 101: 087601. PMID 18764661 DOI: 10.1103/Physrevlett.101.087601  0.493
2006 Wu X, Diéguez O, Rabe KM, Vanderbilt D. Wannier-based definition of layer polarizations in perovskite superlattices. Physical Review Letters. 97: 107602. PMID 17025854 DOI: 10.1103/Physrevlett.97.107602  0.489
2006 Bester G, Wu X, Vanderbilt D, Zunger A. Importance of second-order piezoelectric effects in zinc-blende semiconductors. Physical Review Letters. 96: 187602. PMID 16712396 DOI: 10.1103/Physrevlett.96.187602  0.521
2006 Bester G, Zunger A, Wu X, Vanderbilt D. Effects of linear and nonlinear piezoelectricity on the electronic properties of InAsGaAs quantum dots Physical Review B - Condensed Matter and Materials Physics. 74. DOI: 10.1103/Physrevb.74.081305  0.553
2006 Wu X, Vanderbilt D. Theory of hypothetical ferroelectric superlattices incorporating head-to-head and tail-to-tail 180° domain walls Physical Review B - Condensed Matter and Materials Physics. 73. DOI: 10.1103/Physrevb.73.020103  0.474
2005 Hamann DR, Wu X, Rabe KM, Vanderbilt D. Erratum: Metric tensor formulation of strain in density-functional perturbation theory [Phys. Rev. B 71, 035117 (2005)] Physical Review B. 72. DOI: 10.1103/Physrevb.72.079901  0.531
2005 Wu X, Vanderbilt D, Hamann DR. Systematic treatment of displacements, strains, and electric fields in density-functional perturbation theory Physical Review B - Condensed Matter and Materials Physics. 72. DOI: 10.1103/Physrevb.72.035105  0.552
2005 Hamann DR, Wu X, Rabe KM, Vanderbilt D. Metric tensor formulation of strain in density-functional perturbation theory Physical Review B - Condensed Matter and Materials Physics. 71. DOI: 10.1103/Physrevb.71.035117  0.543
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