About

David Williams–Young, Ph.D., Applied Computing for Scientific Discovery Group, Applied Mathematics and Computational Research Division, Lawrence Berkeley National Lab
Public PGP    PGPMIT    (PGP Fingerprint: A11E 7248 EF13 C14A 1A8D 85E0 8160 2572 73C4 F947)

I’m a researcher in the field of Theoretical / Computational Chemistry, specializing in high-performance, heterogeneous computing and relativistic theory. My research lies at the intersection of Physics, High-Performance Computing and Numerical Linear Algebra. Currently, my research interest include Krylov solvers, performance portability of quantum chemistry software, sparse linear algebra and low scaling electronic structure theory. My research program also centers on leveraging the latest advances in modern C++ to develop clean, modular, and extensible high-performance software.

Currently I am a Research Scientist in the Applied Computing for Scientific Discovery Group (ACSD) in the Applied Mathematics and Computational Research Division (AMCR) at Lawerence Berkeley National Lab (LBNL), (work webpage). My current research centers around the development of exascale electronic structure methods. I am one of the primary developers of the NWChemEx software package, former architect and maintainer (current contributor) of the Chronus Quantum software package, and former contributor to the Gaussian software package. I am currently the primary developer of the GauXC and ExchCXX libraries for exascale, gaussian basis DFT simulations.

I received my Ph.D. in Chemistry at the University of Washington in 2018 under the supervision of Professor Xiaosong Li. My graduate research primarily centered around methods development in the field of quantum chemistry, specifically electronic structure theory.

For a full list of contributions, publications, presentations, and awards, please refer to my CV