Hefei-NAMD is an ab initio non-adiabatic molecular dynamics program to investigate the ultrafast excited carrier dynamics in real and momentum space, energy and time scale. The source code is available on GitHub. For more information, please contact Dr. Qijing Zheng

The source code is hosted on GitHub, or you can download it here.

Challenges on Excited Carrier Dynamics in Condensed matter physics

  • Dynamics in real space, momentum space, and energy
  • Interaction with quasi-particles and real species
  • Exciton dynamics

What can we get from Hefei-NAMD

Dynamics in real space
Dynamics in real space
Dynamics in energy
Dynamics in momentum space
Electron-quasiparticle interaction
Electron-quasiparticle interaction
Quantum decoherence time
Excitonic dynamics and its interactions

How to use Hefei-NAMD

Please see the detailed theory from the link. or watch the videos:

How to Cite Hefei-NAMD

  • Plain text:
    Zheng, Q, Chu, W, Zhao, C, et al. Ab initio nonadiabatic molecular dynamics investigations on the excited carriers in condensed matter systems. WIREs Comput Mol Sci. 2019;

  • BibTeX:

        author = {Zheng, Qijing and Chu, Weibin and Zhao, Chuanyu and Zhang, Lili and Guo, Hongli and Wang, Yanan and Jiang, Xiang and Zhao, Jin},
        author+an = {1=first; 8=corresponding,highlight},
        doi = {10.1002/wcms.1411},
        issn = {17590884},
        journal = {Wiley Interdisciplinary Reviews: Computational Molecular Science},
        keywords = {Hefei-NAMD,excited carrier dynamics,nonadiabatic molecular dynamics,real-time time-dependent density functional theory},
        month = {March},
        number = {6},
        pages = {e1411},
        publisher = {Wiley Periodicals, Inc.},
        title = {Ab Initio Nonadiabatic Molecular Dynamics Investigations on the Excited Carriers in Condensed Matter Systems},
        volume = {9},
        year = {2019}