Junchi Chen
I am currently a PhD student in the Department of Chemistry at Washington University in St. Louis working on understanding the thermodynamic and kinetic mechanisms of the nanocrystals' formation.
Session
07-25
15:00
10min
FreeBird.jl: an extensible toolbox for surface phase equilibria
Ray Yang, Junchi Chen
FreeBird.jl is an extensible platform for computationally studying phase equilibria across a diverse range of interfacial systems, with easy extension to other phenomena. FreeBird.jl employs the concept of walkers—sets of configurations that evolve systematically to sample a desired statistical distribution. We implemented an atomistic and a lattice walker system, and various sampling schemes, such as nested sampling, Wang-Landau sampling, Metropolis Monte Carlo, etc.
Computational Chemistry and Materials Science Minisymposium
Lawrence Room 121 - Struct Room