FreeBird.jl - An Extensible Toolbox for Surface Phase Equilibria
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Learn about FreeBird.jl, a comprehensive computational platform designed for studying phase equilibria in interfacial systems through this 10-minute conference talk. Discover how this extensible Julia package employs walker-based algorithms to systematically sample statistical distributions across diverse surface and interface configurations. Explore the dual walker system architecture featuring atomistic walkers built on AtomsBase.jl for classical interatomic potential calculations and lattice walkers supporting flexible Hamiltonian definitions. Master various sampling methodologies including nested sampling, Wang-Landau sampling, Metropolis Monte Carlo, and exact enumeration techniques unified under a single framework. Understand how to leverage the built-in analysis toolkit for processing sampling outputs and conducting statistical thermodynamic analyses of interfacial phenomena. Examine the FreeBirdIO module capabilities for seamless conversions between atomic structures and walker systems, enabling efficient exploration of thermodynamic properties under non-standard conditions through advanced statistical methods.
Syllabus
FreeBird.jl: an extensible toolbox for surface phase equilibria | Yang, Chen
Taught by
The Julia Programming Language