Elastic Barrier Dynamical Freezing in Free Energy Calculations: A Way To Speed Up Nonequilibrium Molecular Dynamics Simulations by Orders of Magnitude

  • Edoardo Giovannelli, Gianni Cardini, Riccardo Chelli
  • Journal of Chemical Theory and Computation, February 2016, American Chemical Society (ACS)
  • DOI: 10.1021/acs.jctc.5b01117

The authors haven't finished explaining this publication. If you are the author, sign in to claim or explain your work.

Read Publication


The following have contributed to this page: Gianni Cardini

join the fight against climate change

Our simple summaries of climate research help you take action

Read now