Efficient Microcanonical Histogram Analysis and Application to Peptide Aggregation
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.
0
Turn this paper into a full lesson
ArcXiv compiles a staged curriculum from this paper: 8-12 lessons across beginner → advanced, synthesised section guides, visuals, flashcards, a quiz, exercises, and on-demand deep dives per section. Grounded in the abstract, never invented.