个人简介
学习经历
2009.09 - 2013.07, 南开大学,化学学院(伯苓班),理学学士
2013.09 - 2019.07, 北京大学,化学与分子工程学院,理学博士,导师:蒋鸿
工作经历
2019.09 - 2022.03, 威斯康星大学-麦迪逊分校,化学系,博士后,导师:杨阳
2022.05 - 今, 北京师范大学珠海校区,先进材料研究中心,特聘副研究员
近期论文
查看导师最新文章
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Xi Xu and Hong Jiang*, "Cluster expansion based configurational averaging approach to bandgaps of semiconductor alloys", J. Chem. Phys., 2019, 150, 034102.
Xi Xu and Hong Jiang*, "First-principles investigation on anion order, electronic structure and dielectric properties of BaTaO2N", J. Mater. Chem. A, 2019, 7, 14583.
Xi Xu and Hong Jiang*, "First-principles investigation on anion order in perovskite oxynitrides ABO2N (A = Ca, Sr, Ba; B = Ta, Nb)", RSC Adv., 2020, 10, 24410.
Xi Xu and Yang Yang*, "Constrained nuclear-electronic orbital density functional theory: Energy surfaces with nuclear quantum effects", J. Chem. Phys., 2020, 152, 084107.
Xi Xu and Yang Yang*, "Full-quantum descriptions of molecular systems from constrained nuclear-electronic orbital density functional theory", J. Chem. Phys., 2020, 153, 074106.
Xi Xu and Yang Yang*, "Molecular vibrational frequencies from analytic Hessian of constrained nuclear-electronic orbital density functional theory", J. Chem. Phys., 2021, 154, 244110.
Xi Xu, Zehua Chen and Yang Yang*, "Molecular dynamics with constrained nuclear electronic orbital density functional theory: Accurate vibrational spectra from efficient incorporation of nuclear quantum effects", J. Am. Chem. Soc., 2022, 144, 4039-4046.