Eric Bylaska
Senior Research Scientist, WR Wiley Environmental Molecular Sciences Laboratory, High Performance Software DevelopmentDual Assignment
WR Wiley Environmental Molecular Sciences Laboratory / Environmental Spectroscopy & Biogeochemistry Facility
Past Experience
Dr. Bylaska received his Ph.D. in Chemistry in 1998 from the University of California, San Diego under the supervision of Professor John H. Weare. His graduate work involved the development of massively parallel pseudopotential plane-wave first principles methods for clusters, surfaces, solids, as well as first principles molecular dynamics. His dissertation involved using these methods to the study carbon clusters.
After graduation, he accepted a position as a Grade II Research Scientist at PNNL. Since coming to PNNL, Dr. Bylaska has been implementing a pseudopotential plane-wave first principles code (PSPW module) into the NWChem program package. NWChem is a computational chemistry package for parallel computers developed at PNNL. Besides his work on the PSPW module, he is working on new developments including a massively parallel projector-augmented-wave (PAW) code, which can perform all-electron plane-wave calculations, a band structure code (Band module) into the NWChem program package, and a QM/MM method for plane-wave codes. He has also been part of a team responsible for the development a 100+ gigaflop PC Cluster at PNNL. In addition to code development, he has been applying first principle methods to a variety of projects, including the degradation of volatitile organic compounds in the sub-surface, the study of aqueous ions, the study of defects in semi-conducting materials for high-temperature, high-frequency and high-power device applications, and the electronic structure and reactivity at Fe(II) containing surfaces.
Education
BS, Computer Science, Michigan Technological University, 1990
BS, Applied Physics, Michigan Technological University, 1990
PhD, Physical Chemistry, University of California, San Diego, 1998
