Export citation

Export citation

Choose format for download:

Download Citation
  • Editors' Suggestion

Efficient Microcanonical Histogram Analysis and Application to Peptide Aggregation

Michael Bachmann*

  • Soft Matter Systems Research Group, Center for Simulational Physics, Department of Physics and Astronomy, The University of Georgia, Athens, Georgia 30602, USA

  • *Contact author: bachmann@smsyslab.org; https://www.smsyslab.org

Phys. Rev. Lett. 135, 138401 – Published 22 September, 2025

DOI: https://doi.org/10.1103/rvqy-7jkq

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.

Physics Subject Headings (PhySH)

Authorization Required

We need you to provide your credentials before accessing this content.

References (Subscription Required)

Outline

Information

Sign In to Your Journals Account

Filter

Filter

Article Lookup

Enter a citation