Ye Luo's research is focused on developing novel methods and algorithms enabling challenging atomistic and quantum-mechanics based simulations of materials on supercomputers.
He is one of the lead developers of QMCPACK, a highly optimized simulation package for Quantum Monte Carlo methods. He has also improved the OpenMP threading and optimized the parallelization of the Quantum ESPRESSO density functional theory simulation package. The languages and programing models he is proficient in include Fortran, C/C++, MPI, OpenMP(CPUs and GPUs) and CUDA(GPUs).
He joined the Argonne Leadership Computing Facility (ALCF) as a Postdoctoral Researcher in late 2014 and continued as an Assistant Scientific Applications Engineer and then as a computational scientist. He is part of the ALCF Computational Science team and also participate in Exascale Computing Project Applications Development Project for QMCPACK and Center for Predictive Simulation of Functional Materials.