Title: A Partition Function Estimator
Speaker: Prof. Ying-Chih Chiang (Institute of Bioinformatics and Systems Biology, NYCU)
Time: 14:00, August 12 (Wed.), 2026
Place: NCTS Physics 4F Lecture Hall, Cosmology Hall, NTU
Online: https://nationaltaiwanuniversity-zbh.my.webex.com/nationaltaiwanuniversity-zbh.my/j.php?MTID=m6303924eacd8f2635d711ddad65c85d9​​​​​​​
             Meeting Number: 2552 451 2880
             Password: 3Tj2gMQd5Wy (38524673 when dialing from a phone or video system)

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Abstract:
We propose a simple estimator that allows to calculate the absolute value of a system’s partition function from a finite sampling of its canonical ensemble. The estimator utilizes a volume correction term to compensate the effect that the finite sampling cannot cover the whole configuration space. As a proof of concept, the estimator is applied to calculate the partition function for several model systems, and the results are compared with the numerically exact solutions. Excellent agreement is found, demonstrating that a solution for an efficient calculation of partition functions is possible.

References:
[1] Ying-Chih Chiang, Frank Otto, Jonathan W. Essex. (2025) The Journal of Chemical Physics, 162: 024104.