Derivation of the Invariant Free-Energy Landscape
Date :
Wednesday, February 21st, 2024 4:00 pm - 5:00 pm
Place :
On Zoom and Seminar Room 5 (A615), ISSP（Hybrid）
Lecturer : Takenobu Nakamura Affiliation : National Institute of Advanced Industrial Science and Technology Committee Chair : Hiroshi Noguchi (63265)
e-mail: noguchi@issp.u-tokyo.ac.jpLanguage in Speech : Japanese
e-mail: noguchi@issp.u-tokyo.ac.jpLanguage in Speech : Japanese
Conventionally defined free-energy landscape (FEL) exhibits unphysical dependence on the choice of reaction coordinates and hence lacks universal predictive ability [1]. We here show that three physically plausible requirements uniquely determine the FEL for a given reaction coordinate [2]. Our FEL is expressed solely in terms of quantities obtained through time-series data analysis, namely, the probability distribution and the diffusion matrix. It is free from any unphysical coordinate dependence and coincides with the conventional FEL in special cases. The uniqueness and robustness of the definition strongly suggest that our FEL has universal predictive power.
[1] D. Frenkel, Eur. Phys. J. Plus 128, 10 (2013).[2] T. N. https://arxiv.org/abs/1803.09034
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(Published on: Monday January 22nd, 2024)