Efficient Microcanonical Histogram Analysis and Application to Peptide Aggregation
Statistical Mechanics
2025-09-25 v1 Soft Condensed Matter
Biological Physics
Abstract
A novel approach designed to directly estimate microcanonical quantities from energy histograms is proposed, which enables the immediate systematic identification and classification of phase transitions in physical systems of any size by means of the recently introduced generalized microcanonical inflection-point analysis method. The application to the aggregation problem of GNNQQNY heptapeptides, for which the entire transition sequence is revealed, shows the power of this promising method.
Cite
@article{arxiv.2509.20305,
title = {Efficient Microcanonical Histogram Analysis and Application to Peptide Aggregation},
author = {Michael Bachmann},
journal= {arXiv preprint arXiv:2509.20305},
year = {2025}
}
Comments
6 pages, 2 figures