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List of works by Xifan Wu

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

scientific article published on 24 July 2017

Convert Widespread Paraelectric Perovskite to Ferroelectrics

scientific article published on 12 May 2022

Deep neural network for the dielectric response of insulators

scientific article published on 22 July 2020

Dissolving salt is not equivalent to applying a pressure on water

scientific article published on 10 February 2022

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

scientific article published in Physical Review Letters

Exploring the impact of ions on oxygen K-edge X-ray absorption spectroscopy in NaCl solution using the GW-Bethe-Salpeter-equation approach

scientific article published in November 2023

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

scientific article published on 12 March 2018

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

scientific article published on 8 May 2020

Isotope effects in x-ray absorption spectra of liquid water

scientific article published on 25 September 2020

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

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

scientific article published on 17 September 2021

Molecular-scale insights into the electrical double layer at oxide-electrolyte interfaces

scientific article published on 26 November 2024

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

scientific article published on 8 July 2021

Optical Absorption Spectroscopy Probes Water Wire and Its Ordering in a Hydrogen-Bond Network

scientific article published on 5 March 2025

Predicting polarization and nonlinear dielectric response of arbitrary perovskite superlattice sequences

scientific article published on 18 August 2008

Pressure-induced structural and dielectric changes in liquid water at room temperature

scientific article published on 21 March 2025

Stabilization of Highly PolarBiFeO3-like Structure: A New Interface Design Route for Enhanced Ferroelectricity in Artificial Perovskite Superlattices ⬇️

Structural and dynamic properties of solvated hydroxide and hydronium ions in water from ab initio modeling

scientific article published on 8 July 2022

Why Dissolving Salt in Water Decreases Its Dielectric Permittivity

scientific article published on 16 August 2023

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