TPMD toolkit: A toolkit for studying rate processes using molecular dynamics trajectories and performing temperature programmed molecular dynamics calculations

Saurabh Shivpuje, Abhijit Chatterjee. TPMD toolkit: A toolkit for studying rate processes using molecular dynamics trajectories and performing temperature programmed molecular dynamics calculations. Computer Physics Communications, 270:108177, 2022. [doi]

Authors

Saurabh Shivpuje

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Abhijit Chatterjee

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