Chao Jiang is a distinguished computational scientist in the Computational Mechanics and Materials Department of INL. In his research, he uses a multiscale modeling approach integrating density functional theory (DFT) calculations, molecular dynamics (MD) simulations, kinetic Monte Carlo (KMC) simulations to predict the properties of materials under both equilibrium and irradiation conditions. He received his PhD in Materials Science and Engineering from Pennsylvania State University at University Park in 2004 and was the recipient of the Director’s postdoc fellowship from Los Alamos National Laboratory from 2006 to 2008. To date, he has authored more than 100 publications in leading journals including Nature, Physical Review Letters, Nature Communications, npj Computational Materials, and Acta Materialia. He has also served as an Associate Editorial Board member of Materials Research Letters.

density functional theory (DFT)
molecular dynamics (MD) simulations
kinetic Monte Carlo (KMC) simulations
machine learning
CALPHAD