An algorithm for estimating kinetic parameters of atomistic rare events using finite-time temperature programmed molecular dynamics trajectories

Saurabh Shivpuje, Manish Kumawat, Abhijit Chatterjee. An algorithm for estimating kinetic parameters of atomistic rare events using finite-time temperature programmed molecular dynamics trajectories. Computer Physics Communications, 262:107828, 2021. [doi]

@article{ShivpujeKC21,
  title = {An algorithm for estimating kinetic parameters of atomistic rare events using finite-time temperature programmed molecular dynamics trajectories},
  author = {Saurabh Shivpuje and Manish Kumawat and Abhijit Chatterjee},
  year = {2021},
  doi = {10.1016/j.cpc.2021.107828},
  url = {https://doi.org/10.1016/j.cpc.2021.107828},
  researchr = {https://researchr.org/publication/ShivpujeKC21},
  cites = {0},
  citedby = {0},
  journal = {Computer Physics Communications},
  volume = {262},
  pages = {107828},
}