ORNL Director’s Award for Outstanding Individual Accomplishment in Science and Technology, 2020. APS Fellowship, nominated by the Division of Computational Physics, 2017. ACM Gordon Bell Prize, 2008.
Research Experience
A distinguished research scientist at Oak Ridge National Laboratory (ORNL). Leads the development of QMCPACK application for exascale computing, a very high-performance Quantum Monte Carlo code. Directs the Center for Predictive Simulation of Functional Materials and is a member of the Nanotheory Institute at the Center for Nanophase Materials Sciences (CNMS) and the Computational Chemical and Materials Science group in the Computational Science and Engineering Division.
Education
PhD from the University of Cambridge under the supervision of Richard Needs. Worked with Alex Zunger at NREL for three years after completing his PhD.
Background
Research is focused on predicting and explaining the properties of materials using computer simulation. Specializes in the application and development of so-called 'first principles' methods. Ongoing research projects include: Quantum Monte Carlo for real materials, large length and timescale quantum molecular dynamics calculations, characterization, optimization, and design of nanoscale systems with desired properties, etc.
Miscellany
Has given several talks and presentations, such as 'The State of Exascale Quantum Monte Carlo' at the APS March Meeting 2024, Minneapolis, MN.