Xifan Wu

1. Modeling liquid water by climbing up Jacob's ladder in density functional theory facilitated by using deep neural network potentials
   2021/04/29 by Chunyi Zhang, Zhang, Chunyi, Fujie Tang +13 · 5 citations
   Materials Science · Physics and Astronomy · #Machine Learning in Materials Science #Quantum, superfluid, helium dynamics #Spectroscopy and Quantum Chemical Studies #physics.chem-ph #physics.comp-ph
2. Systematic treatment of displacements, strains and electric fields in density-functional perturbation theory
   2005/01/28 by Xifan Wu, David Vanderbilt, D. R. Hamann · 2 citations
   Physics and Astronomy · #cond-mat.mtrl-sci
3. Comparative first-principles studies of prototypical ferroelectric materials by LDA, GGA, and SCAN meta-GGA
   2017/02/28 by Yubo Zhang, Jianwei Sun, John P. Perdew +1 · 3 citations
   Engineering · Materials Science · Medicine · Physics and Astronomy · #Acoustic Wave Resonator Technologies #Condensed matter physics #Ferroelectric and Piezoelectric Materials #Ferroelectricity #Materials science #Medicine #Meta-analysis #Multiferroics and related materials #Optoelectronics #Physics #cond-mat.mtrl-sci
4. Metric Tensor Formulation of Strain in Density-Functional Perturbation Theory
   2004/09/10 by D. R. Hamann, Xifan Wu, Karin M. Rabe +1 · 1 citation
   Physics and Astronomy · #cond-mat.mtrl-sci #cond-mat.other
5. Room temperature multiferroism in CaTcO₃ by interface engineering
   2013/06/14 by Hongwei Wang, Wang, Hongwei, Lixin He +3 · 1 citation
   Materials Science · Physics and Astronomy · #Electronic and Structural Properties of Oxides #FOS: Physical sciences #Magnetic and transport properties of perovskites and related materials #Materials Science (cond-mat.mtrl-sci) #Multiferroics and related materials #cond-mat.mtrl-sci
6. The Individual and Collective Effects of Exact Exchange and Dispersion Interactions on the Ab Initio Structure of Liquid Water
   2014/05/20 by Robert A. DiStasio Jr., Biswajit Santra, Zhaofeng Li +2 · 1 citation
   Physics and Astronomy · #cond-mat.soft #physics.chem-ph
7. SCAN: An Efficient Density Functional Yielding Accurate Structures and Energies of Diversely-Bonded Materials
   2015/11/03 by Jianwei Sun, Richard C. Remsing, Sun, Jianwei +23 · 1 citation
   Materials Science · Physics and Astronomy · #Boron and Carbon Nanomaterials Research #FOS: Physical sciences #Graphene research and applications #MXene and MAX Phase Materials #Materials Science (cond-mat.mtrl-sci) #cond-mat.mtrl-sci
8. Ab initio theory and modeling of water
   2017/09/29 by Mohan Chen, Hsin-Yu Ko, Richard C. Remsing +8 · 1 citation
   Physics and Astronomy · #cond-mat.soft #cond-mat.mtrl-sci #physics.chem-ph #physics.comp-ph
9. Deep neural network for the dielectric response of insulators
   2019/06/30 by Linfeng Zhang, Mohan Chen, Xifan Wu +3 · 1 citation
   Physics and Astronomy · #physics.comp-ph #cond-mat.mtrl-sci #physics.chem-ph
10. Hybrid density functional calculations of the band gap ofGaxIn1−xN
    2009/07/12 by Xifan Wu, Eric J. Walter, Andrew M. Rappe +2 · 1 citation
    Materials Science · Mathematics · Physics and Astronomy · #Advanced Chemical Physics Studies #Algorithm #Atom (system on chip) #Band gap #Computer science #Condensed matter physics #Density functional theory #Ga2O3 and related materials #GaN-based semiconductor devices and materials #Hybrid functional #Mathematical analysis #Mathematics #Order (exchange) #Physics #Quantum mechanics #Scheme (mathematics) #Semiconductor #Supercell #Ternary operation #cond-mat.mtrl-sci
11. Pressure-Induced Structural and Dielectric Changes in Liquid Water at Room Temperature
    2025/02/14 by Song, Yizhi, Xifan Wu, Wu, Xifan · 1 citation
    Physics and Astronomy · #Chemical Physics (physics.chem-ph) #Computational Physics (physics.comp-ph) #FOS: Physical sciences #Materials Science (cond-mat.mtrl-sci) #Spectroscopy and Quantum Chemical Studies