Software

VG-rtTDDFTB: Velocity-Gauge Real-Time Time-Dependent Density Fucntional Tight-Binding (Open source in the future)

• Relevant publications
  1. Q. Xu et al., J. Am. Chem. Soc. (2024)
  2. Q. Xu et al., J. Chem. Theory Comput. (2023)

ARES: Ab initio Real-Space Electronic Structures software (Not open source)

• Relevant publications
  1. Q. Xu et al., J. Phys.: Condens. Matt. (2019)

ATLAS: Ab initio orbiTaL-free density functionAl theory Software. Download.

• Relevant publications
  1. Q. Xu et al., Nat. Commun. (2022)
  2. Q. Xu et al., Phys. Rev. B (2020)
  3. Q. Xu et al., Phys. Rev. B (2019)
  4. X. Shao et al., Comput. Phys. Commun. (2018)
  5. W. Mi et al., Comput. Phys. Commun. (2016)