4 papers
Calculating the symmetry number of flexible sphere clusters
Emilio Zappa, Miranda Holmes-Cerfon
We present a theoretical and computational framework to compute the symmetry number of a flexible sphere cluster in , using a definition of symmetry that arises natur…
Minimum energy paths for conformational changes of viral capsids
Paolo Cermelli, Giuliana Indelicato, Emilio Zappa
In this work we study how a viral capsid can change conformation using techniques of Large Deviations Theory for stochastic differential equations. The viral capsid is a model of a…
Monte Carlo on manifolds: sampling densities and integrating functions
Emilio Zappa, Miranda Holmes-Cerfon, Jonathan Goodman
We describe and analyze some Monte Carlo methods for manifolds in Euclidean space defined by equality and inequality constraints. First, we give an MCMC sampler for probability dis…
A group theoretical approach to structural transitions of icosahedral quasicrystals and point arrays
Emilio Zappa, Eric C. Dykeman, James A. Geraets +1
In this paper we describe a group theoretical approach to the study of structural transitions of icosahedral quasicrystals and point arrays. We apply the concept of Schur rotations…