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Popular repositories Loading

  1. pool-for-DFT pool-for-DFT Public

  2. Hefei-NAMD Hefei-NAMD Public

    Forked from QijingZheng/Hefei-NAMD

    ab-initio nonadiabatic molecular dynamics program

    Fortran

  3. CA-NAC CA-NAC Public

    Forked from WeibinChu/CA-NAC

    Concentric Approximation - Non-adiabatic Coupling

    Python

  4. Hefei-NAMD-DEV Hefei-NAMD-DEV Public

    Forked from WeibinChu/Hefei-NAMD-DEV

    Hefei-NAMD is an ab initio non-adiabatic molecular dynamics program based on time-dependent density-functional theory and surface hopping methods to investigate ultrafast dynamics of excited carrie…

    Fortran

  5. matgenb matgenb Public

    Forked from luzihen/matgenb

    Jupyter notebooks demonstrating the utilization of open-source codes for the study of materials science.

    Jupyter Notebook

  6. pfd-kit pfd-kit Public

    Forked from ruoyuwang1995nya/pfd-kit

    Fine-tuning and distillation workflow for pretrained atomic potentials

    Python