Background

Dmitry I. Liakh (Lyakh) defended his PhD in Physical Chemistry in 2009. His PhD thesis dealt with accurate multi-reference models for coupled-cluster theory, with applications to molecular bond breaking/formation. An indistinguishable part of his PhD work was development of high performance computing software and automated tools for symbolic and numeric tensor algebra processing. After postdoctoral research at the Quantum Theory project at the University of Florida, where he continued his work on theory and automated software tools for coupled-cluster theory, Lyakh joined the Oak Ridge National Laboratory in 2013. As part of the Oak Ridge Leadership Computing facility, he focused on scalable methodology, algorithms, and software for quantum sciences, including quantum chemistry, condensed matter physics, and quantum computing. His GPU-accelerated numerical tensor algebra library TAL-SH powered the qFlex code used in Google’s quantum supremacy demonstration on Summit supercomputer in 2019. More recently, he has been the primary developer of the generic tensor network processing library, called ExaTN, which serves as the parallel numerical backend in the scalable GPU-accelerated quantum circuit simulator called TN-QVM. Lyakh’s expertise and software are an integral part of a number of currently funded quantum information science projects at the Oak Ridge National Laboratory, most recently including the DOE Quantum Science Center.

R&D Activities Contributions

Center for Accelerated Application Readiness (CAAR) - In preparation for next-generation supercomputer Summit, the Oak Ridge Leadership Computing Facility (OLCF) selected 13 partnership projects into its Center for Accelerated Application Readiness (CAAR)…

Exascale Computing Project – NWChemEx - The NWChemEx project will redesign the architecture of NWChem to work with the pre-exascale and exascale computers to be deployed at U.S. Department of Energy…

Highlights