@Article{SCI:Chi2021a, author = "J. Chilleri and Y. He and D. Bedrov and R. M. Kirby", title = "Optimal allocation of computational resources based on Gaussian process: Application to molecular dynamics simulations", journal = "Computational Materials Science", volume = "188", pages = "110178", year = "2021", publisher = "Elsevier", url = "http://www.sci.utah.edu/publications/Chi2021a/1-s2.0-S0927025620306698-main.pdf", }