Phillip Thomas
Applications Performance Engineer
National Energy Research Scientific Computing Center (NERSC)
Science Engagement & Workflows Dept.
Application Performance Group
Phillip is an Application Performance Engineer at NERSC. His areas of expertise include Fortran, GPU programming, and algorithms related to tackling the Curse of Dimensionality. His efforts at NERSC involve improving the performance of material science applications. He currently works in the BerkeleyGW project developing a GPU implementation for StochasticGW, a code for computing excited states of very large material systems. Before coming to NERSC, Phillip developed compute kernels for Wave Computing in Santa Clara, California. Prior to that Phillip worked as a post-doctoral researcher in quantum reaction dynamics at Queen's University in Ontario, Canada, and at Leiden University in the Netherlands. He also has experience in experimental molecular spectroscopy from a post-doctoral fellowship at The Ohio State University. Phillip's Ph. D. thesis topic was spectroscopy and simulation of reactive organic molecules.
Education
PhD - University of Wisconsin–Madison, United States
BS - Wingate University, United States
Recent Publications
Using an iterative eigensolver and intertwined rank reduction to compute vibrational spectra of molecules with more than a dozen atoms: Uracil and naphthalene
Authors: Thomas, PS; Carrington, T; Agarwal, J; Schaefer, HF
August 2018, Journal of Chemical Physics
Comparison of different eigensolvers for calculating vibrational spectra using low-rank, sum-of-product basis functions
Authors: Leclerc, A; Thomas, PS; Carrington, T
August 2017, Molecular Physics
An intertwined method for making low-rank, sum-of-product basis functions that makes it possible to compute vibrational spectra of molecules with more than 10 atoms
Authors: Thomas, PS; Carrington, T
May 2017, Journal of Chemical Physics
Rotational effects on the dissociation dynamics of CHD 3 on Pt(111)
Authors: Füchsel, G; Thomas, PS; Uyl, JD; Öztürk, Y; Nattino, F; Meyer, H-D
March 2016, Physical Chemistry, Chemical Physics - PCCP
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