Xifan Wu

发表

Deep neural network for the dielectric response of insulators

Weinan E, Roberto Car, Xifan Wu, 2020 .

Surface- and strain-tuning of the optical dielectric function in epitaxially grown CaMnO3

Hongwei Wang, Xifan Wu, X. Xi, 2015, 1510.01709.

Accurate first-principles structures and energies of diversely bonded systems from an efficient density functional.

Jianwei Sun, Haowei Peng, Xifan Wu, 2016, Nature chemistry.

Order-N implementation of exact exchange in extended insulating systems

Annabella Selloni, Roberto Car, Xifan Wu, 2008, 0812.1322.

Electronic structure and bonding properties of cobalt oxide in the spinel structure

Xifan Wu, A. Selloni, Jia Chen, 2011, 1104.4383.

The individual and collective effects of exact exchange and dispersion interactions on the ab initio structure of liquid water.

Roberto Car, Xifan Wu, Robert A DiStasio, 2014, The Journal of chemical physics.

Advanced capabilities for materials modelling with Quantum ESPRESSO.

Carlo Cavazzoni, Guido Fratesi, Stefano de Gironcoli, 2017, Journal of physics. Condensed matter : an Institute of Physics journal.

Isotope effects in x-ray absorption spectra of liquid water

B. Santra, Linfeng Zhang, Xifan Wu, 2020, Physical Review B.

X-ray absorption signatures of the molecular environment in water and ice.

Wei Chen, Roberto Car, Xifan Wu, 2009, Physical review letters.

X-ray absorption of liquid water by advanced ab initio methods

M. Klein, B. Santra, W. Kang, 2017, 1709.00150.

Electron-Hole Theory of the Effect of Quantum Nuclei on the X-Ray Absorption Spectra of Liquid Water.

Xifan Wu, Michael L Klein, Francesco Paesani, 2018, Physical review letters.

Accessing the Accuracy of Density Functional Theory through Structure and Dynamics of the Water–Air Interface

Yasuteru Shigeta, Xifan Wu, Mischa Bonn, 2019, The journal of physical chemistry letters.

Improved Jc properties and microstructure in Na-doped MTG-YBCO crystals

Xifan Wu, Hailu Luo, Teng Yang, 2002 .

Comparative first-principles studies of prototypical ferroelectric materials by LDA, GGA, and SCAN meta-GGA

J. Perdew, Xifan Wu, Yubo Zhang, 2017, 1702.04817.

Convert Widespread Paraelectric Perovskite to Ferroelectrics.

T. Low, Hongwei Wang, H. Xiang, 2022, Physical review letters.

DeePKS+ABACUS as a Bridge between Expensive Quantum Mechanical Models and Machine Learning Potentials

Linfeng Zhang, Han Wang, Mohan Chen, 2022, ArXiv.

Deep neural network for Wannier function centers

E. Weinan, R. Car, Linfeng Zhang, 2019, 1906.11434.

SCAN: An Efficient Density Functional Yielding Accurate Structures and Energies of Diversely-Bonded Materials

M. Klein, J. Perdew, A. Ruzsinszky, 2015, 1511.01089.

Electronic structure and bonding properties of cobalt oxide in the spinel structure

Xifan Wu, A. Selloni, Jia Chen, 2011, 1104.4383.

Enabling Large-Scale Condensed-Phase Hybrid Density Functional Theory Based Ab Initio Molecular Dynamics I: Theory, Algorithm, and Performance.

R. Distasio, R. Car, B. Santra, 2019, Journal of chemical theory and computation.

DeePKS+ABACUS as a Bridge between Expensive Quantum Mechanical Models and Machine Learning Potentials

Linfeng Zhang, Han Wang, Mohan Chen, 2022, The journal of physical chemistry. A.

Transport properties in Tl-2212 film

Xifan Wu, Hailu Luo, Teng Yang, 2002 .

Theory of hypothetical ferroelectric superlattices incorporating head-to-head and tail-to-tail 180° domain walls

D. Vanderbilt, Xifan Wu, 2005, cond-mat/0512135.

Systematic treatment of displacements, strains, and electric fields in density-functional perturbation theory

Astronomy, D. Vanderbilt, Xifan Wu, 2005, cond-mat/0501548.

Interfacial enhancement of ferroelectricity in CaTiO 3 /BaTiO 3 superlattices

D. Vanderbilt, K. Rabe, Xifan Wu, 2010, 1009.1448.

Probing ferroelectricity by x-ray absorption spectroscopy in molecular crystals

D. Lu, P. Dowben, Xifan Wu, 2019, Physical Review Materials.

Signature of the hydrogen-bonded environment of liquid water in X-ray emission spectra from first-principles calculations

E. Wang, Mohan Chen, Xifan Wu, 2017, Frontiers of Physics.

Ab initio studies of ionization potentials of hydrated hydroxide and hydronium.

Xifan Wu, Charles W. Swartz, 2013, Physical review letters.

Interface enhanced functionalities in oxide superlattices under mechanical and electric boundary conditions

Hongwei Wang, Xifan Wu, P. Dhuvad, 2020, npj Computational Materials.

Room temperature multiferroism in CaTcO$_3$ by interface engineering

Lixin He, Hongwei Wang, Xifan Wu, 2013, 1306.3433.

Tuning the Néel Temperature of Hexagonal Ferrites by Structural Distortion.

Xifan Wu, Yuewei Yin, D. Keavney, 2018, Physical review letters.

In-plane and out-of-plane magnetoresistivity in a MTG Er-doped YBCO crystal

Xifan Wu, Teng Yang, H. Luo, 2002 .

The effect of the geometric factor on theV-Icurve of Tl2212 film

Xifan Wu, Yaohua Liu, L. Qiu, 2001 .

A study of the memory effect in ultra-pure YBa2Cu3O6.993

Xifan Wu, H. Luo, J. Shi, 2002 .

Signature of the hydrogen-bonded environment of liquid water in X-ray emission spectra from first-principles calculations

E. Wang, Mohan Chen, Xifan Wu, 2018 .

Structural, electronic, and dynamical properties of liquid water by ab initio molecular dynamics based on SCAN functional within the canonical ensemble.

B. Santra, Mohan Chen, Xifan Wu, 2018, The Journal of chemical physics.

Ab initio theory and modeling of water

M. Klein, J. Perdew, R. Car, 2017, Proceedings of the National Academy of Sciences.

Dissolving salt is not equivalent to applying a pressure on water

M. Klein, A. Panagiotopoulos, Xifan Wu, 2022, Nature communications.

Study of History Effect of Vortex Matter by AC Susceptibility

Xifan Wu, Yaohua Liu, Teng Yang, 2001 .

Effect of flux creep on Ic measurement of electric transport

Xifan Wu, H. Luo, S. Ding, 2001 .

Hydroxide diffuses slower than hydronium in water because its solvated structure inhibits correlated proton transfer

M. Klein, R. Car, H. Ko, 2018, Nature Chemistry.

A systematic study of chloride ion solvation in water using van der Waals inclusive hybrid density functional theory

M. Klein, R. Distasio, B. Santra, 2015, 1503.07492.

Modeling Liquid Water by Climbing up Jacob's Ladder in Density Functional Theory Facilitated by Using Deep Neural Network Potentials.

M. Klein, J. Perdew, D. Qiu, 2021, The journal of physical chemistry. B.

Modeling functional piezoelectricity in perovskite superlattices with competing instabilities

Xifan Wu, Charles W. Swartz, 2011, 1109.2183.

Stabilization of Highly Polar BiFeO 3 -like Structure: A New Interface Design Route for Enhanced Ferroelectricity in Artificial Perovskite Superlattices

Dean J. Miller, K. Rabe, Hongwei Wang, 2015, 1507.00415.

Isotope effects in molecular structures and electronic properties of liquid water via deep potential molecular dynamics based on the SCAN functional

B. Santra, Linfeng Zhang, Mohan Chen, 2020, Physical Review B.

Aqueous solvation of the chloride ion revisited with density functional theory: impact of correlation and exchange approximations.

M. Klein, Xifan Wu, Jianhang Xu, 2020, Physical chemistry chemical physics : PCCP.

Importance of second-order piezoelectric effects in zinc-blende semiconductors.

D. Vanderbilt, A. Zunger, G. Bester, 2006, Physical review letters.

Effects of biaxial strain on the improper multiferroicity in h − LuFe O 3 films studied using the restrained thermal expansion method

Hongwei Wang, Xifan Wu, Yubo Zhang, 2017 .

Effects of Linear and Nonlinear Piezoelectricity on the Electronic Properties of InAs/GaAs Quantum Dots

Xifan Wu, Alex Zunger, David Vanderbilt, 2006 .

Why does hydronium diffuse faster than hydroxide in liquid water

M. Klein, R. Distasio, R. Car, 2016, 1801.07841.

Stabilization of Hydroxide Ions at the Interface of a Hydrophobic Monolayer on Water via Reduced Proton Transfer.

Mohan Chen, Xifan Wu, Yudan Su, 2020, Physical review letters.

Accurate fi rst-principles structures and energies of diversely bonded systems from an ef fi cient density functional

M. Klein, J. Perdew, A. Ruzsinszky, 2016 .

Hybrid density functional calculations of the band gap of Ga x In 1-x N

R. Car, A. Rappe, Xifan Wu, 2009, 0907.2001.

Many-body effects in the X-ray absorption spectra of liquid water

S. Louie, R. Car, D. Qiu, 2022, Proceedings of the National Academy of Sciences of the United States of America.

Identification of a functional point defect in SrTiO3

C. Eom, Hongwei Wang, Xifan Wu, 2018, Physical Review Materials.

Hydration of NH_{4}^{+} in Water: Bifurcated Hydrogen Bonding Structures and Fast Rotational Dynamics.

E. Wang, A. Michaelides, Andrea Zen, 2020, Physical review letters.

Crystal field splitting and optical bandgap of hexagonal LuFeO3 films

Lixin He, Hongwei Wang, Xifan Wu, 2012, 1210.0076.

Metric tensor formulation of strain in density-functional perturbation theory

Astronomy, Piscataway, D. Hamann, 2004, cond-mat/0409269.

Structural and electronic origin of the magnetic structures in hexagonal LuFeO3

Lixin He, Hongwei Wang, Xifan Wu, 2013, 1312.6984.

First-principles study of the infrared spectrum in liquid water from a systematically improved description of H-bond network

Mohan Chen, Xifan Wu, Cui Zhang, 2019, Physical Review B.

PEAK, DIP AND HISTORY EFFECTS OF VORTEX MATTER

Xifan Wu, S. Ding, 2001 .

Study of the relationship between the V -I curve and the flux dynamics in superconductors

Xifan Wu, H. Luo, Z. Wang, 2001 .

Distribution of barriers of vortex matter at different temperatures in single crystal Bi2212

Xifan Wu, G. Gu, Hailu Luo, 2000 .

Peak effect of a La0.9Pr0.1Ba2Cu2.62Al0.38O7−y single crystal

Xifan Wu, Hailu Luo, Teng Yang, 2002 .

Dynamic response of Ag–Bi2223 tapes in applied fields by electric transport measurement

Xifan Wu, Hailu Luo, L. Qiu, 2000 .

Roles of quantum nuclei and inhomogeneous screening in the x-ray absorption spectra of water and ice

R. Car, Xifan Wu, Lingzhu Kong, 2012, 1204.0268.

Exploring the Impact of Ions on Oxygen K-Edge X-ray Absorption Spectroscopy in NaCl Solution using the GW-Bethe-Salpeter-Equation Approach

Xifan Wu, Fujie Tang, Kefeng Shi, 2023, 2307.08215.

Erratum: Metric tensor formulation of strain in density-functional perturbation theory [Phys. Rev. B 71, 035117 (2005)]

D. Hamann, D. Vanderbilt, K. Rabe, 2005 .

Emergence of room-temperature ferroelectricity at reduced dimensions

D. Tenne, E. Tsymbal, S. Stemmer, 2015, Science.

Systematic treatment of displacements, strains, and electric fields in density-functional perturbation theory

Murray Hill, Astronomy, Xifan Wu, 2005, cond-mat/0501548.

Nuclear quantum effects on the quasiparticle properties of the chloride anion aqueous solution within the GW approximation

D. Qiu, Xifan Wu, Jianhang Xu, 2021, Physical Review B.

The individual and collective effects of exact exchange and dispersion interactions on the ab initio structure of liquid water.

R. Distasio, R. Car, B. Santra, 2014, The Journal of chemical physics.

Structural, electronic, and dynamical properties of liquid water by ab initio molecular dynamics based on SCAN functional within the canonical ensemble.

B. Santra, Mohan Chen, Xifan Wu, 2018, The Journal of chemical physics.

Why Dissolving Salt in Water Decreases Its Dielectric Permittivity.

M. Klein, A. Panagiotopoulos, Xifan Wu, 2023, Physical review letters.

Importance of nuclear quantum effects on the hydration of chloride ion

M. Klein, D. Lu, Xifan Wu, 2020, Physical Review Materials.

AC losses of superconductor MgB2

C M Lee, Hailu Luo, Teng Yang, 2002 .

Publisher's Note: Structural and electronic origin of the magnetic structures in hexagonal LuFeO 3 [Phys. Rev. B 90 , 014436 (2014)]

Lixin He, Hongwei Wang, Xifan Wu, 2014 .