Ph.D. student in Materials Science at Columbia University in the City of New York
19:30 UTC
Materials computations, especially of the ab initio kind, are intrinsically complex. These difficulties have inspired us to develop an extensible, lightweight, high-level workflow framework, Express.jl
, to automate long and extensive sequences of the ab initio calculations. In this talk, we would like to share some experiences that we gained in building a software framework and multifunctional scientific tools with Julia's versatility.