What is it about?
Free energy is at the base of many biological and physical processes. It can be quantified experimentally or computationally by employing proper statistical tools. Here we devise a statistical framework which takes advantage of a prior expectation on the free energy value to improve its estimation.
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Why is it important?
Free energy estimation is addressed explicitly as a regularization problem which in turns allows to embed a prior in the statistical framework.
Perspectives
Writing this article was fun. Really hope free energy estimation can be approached more and more as an inverse problem, where regularization (in a sense Bayes) can play a crucial role.
Sergio Decherchi
Read the Original
This page is a summary of: Regularized Bennett and Zwanzig free energy estimators, The Journal of Chemical Physics, March 2023, American Institute of Physics,
DOI: 10.1063/5.0137837.
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