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Ye Luo

Assistant Computational Scientist

Theoretical and computational condensed mater physics, high performance computing


My research is focused on developing novel methods and algorithms enabling challenging atomistic and quantum-mechanics based simulations of materials on supercomputers.

I am one of the lead developers of QMCPACK, a highly optimized simulation package for Quantum Monte Carlo methods. I have also improved the OpenMP threading and optimized the parallelization of the Quantum ESPRESSO density functional theory simulation package. The languages and programing models I am proficient in include Fortran, C/C++, MPI, OpenMP(CPUs and GPUs) and CUDA(GPUs).

I joined the Argonne Leadership Computing Facility (ALCF) as a Postdoctoral Researcher in late 2014 and continued as an Assistant Scientific Applications Engineer since late 2016. I am 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.


Fudan University, China. B.Sc. in Physics, 2006-2010
Scuola Internazionale Superiore di Studi Avanzati, Italy. Ph.D. in Theory and Numerical Simulation of Condensed Matter, 2010-2014


Peer-reviewed publications see Google Scholar and ORCID 0000-0002-5117-2385


2016 Pacesetter Award