CV

Education

• B.S. in Physics, Jilin University, 2011 - 2015
• Ph.D in Condensed Matter Physics, Jilin University, 2015 - 2020
  • Duties included: The development of kinetic energy density functionals for OFDFT
  • Advisor: Yanming Ma (Academician of Chinese Academy of Sciences)

Work experience

• Sep. 2022 - now : University of California, Riverside
  • Postdoc Researcher
  • Duties included: The development of velocity-gauge real-time TDDFTB
  • Advisor: Bryan M. Wong
• Oct. 2021 - Jul. 2024 : Lawrence Berkeley National Laboratory
  • Postdoc Researcher & Affiliate
  • Duties included: The development of core-level binding energies calculation method
• Jul. 2020 - Sep. 2021 : Jilin University
  • Postdoc Researcher under the first ‘Ding Xin’ scholarship
  • Duties included: The development of nonlocal pseudopotential method for OFDFT
  • Advisor: Yanchao Wang

Skills

• Theory:
  • Time-dependent density functional theory
  • Orbital-free/Kohn-Sham density functional theory
  • Differential Geometry, and Functional Analysis
• Coding:
  • Fortran90, e.g. I’ve done ~40000 lines in total for ATLAS, ARES, and VG-rtTDDFTB Packages
  • Python

Selected Publications

• Qiang Xu^†, Daniel Weinberg, Mahmut S. Okyay, Min Choi, Mauro D. Ben, and Bryan M. Wong^†, “Photo-induced electron-nuclear dynamics of fullerene and its monolayer networks in solvated environments”, Submitted, (2024)

• Qiang Xu, Cheng Ma, Wenhui Mi, Yanchao Wang^†, and Yanming Ma, “Nonlocal pseudopotential energy density functional for orbital-free density functional theory”, Nat. Commun., 13, 1385 (2022)

• Qiang Xu, Cheng Ma, Wenhui Mi^†, Yanchao Wang^†, and Yanming Ma^†, “Recent advancements and challenges in orbital-free density functional theory”, WIREs: Comput. Mol. Sci., e1724 (2024)

• Qiang Xu, Mauro D. Ben, Mahmut S. Okyay, Min Choi, Khaled Z. Ibrahim, and Bryan M. Wong^†, “Velocity-gauge real-time time-dependent density functional tight-binding for large-scale condensed matter systems”, J. Chem. Theory Comput., 19, 22, 7989-7997 (2023)

• Qiang Xu, Yanchao Wang^†, and Yanming Ma^†, “Nonlocal kinetic energy density functional via line integrals and its application to orbital-free density functional theory”, Phys. Rev. B, 100, 205132 (2019)

• Qiang Xu^a, Sheng Wang^a, Lantian Xue, Xuecheng Shao, Pengyue Gao, Jian Lv, Yanchao Wang^†, and Yanming Ma^† “Ab initio electronic structure calculations using a real-space Chebyshev-filtered subspace iteration method”, J. Phys.: Condens. Matter, 31, 455901 (2019)

Awards

• 2024/10 The 7th SoCal TheoChem Poster Award
• 2020-2021 The first “Ding Xin” Scholarship
• 2015-2016 National Scholarship and First-class Scholarship (Ranks No.1)
• 2014-2015 National Encouragement Scholarship (Top 10%)
• 2013-2014 Second Prize in Mathematical Modeling Competition

Service

• Reviewer for the following journals:
  • J. Am. Chem. Soc.
  • Appl. Mater. Interfaces.
  • Ind. Eng. Chem. Res.
  • Comput. Mater. Sci.