Xifan Wu

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

Jianwei Sun, Richard C. Remsing, Yubo Zhang et al. · Nature Chemistry · 2016 · 961 citations

Natural Sciences, Chemistry, Computational Chemistry +13

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

Xifan Wu, David Vanderbilt, D. R. Hamann · Physical Review B · 2005 · 895 citations · Full text

Natural Sciences, Materials Science, Physics +17

Ab initio theory and modeling of water

Mohan Chen, Hsin-Yu Ko, Richard C. Remsing et al. · Proceedings of the National Academy of Sciences · 2017 · 498 citations · Full text

Natural Sciences, Chemistry, Physics +17

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

Jia Chen, Xifan Wu, Annabella Selloni · Physical Review B · 2011 · 355 citations · Full text

Natural Sciences, Chemistry, Physics +17

Emergence of room-temperature ferroelectricity at reduced dimensions

Daesu Lee, Haidong Lu, Yijia Gu et al. · Science · 2015 · 352 citations · Full text

Natural Sciences, Materials Science, Physics +17