Author

Marshall McDonnell is a research software engineer in the Application Engineering Group in the Computer Science and Mathematics Division at Oak Ridge National Laboratory (ORNL). Current scientific interests and projects include developing neutron total scattering data reduction and analysis software, knowledge graphs for materials science, and combined experiment and computational scientific workflows. Some specific areas of interest include hydrates for gas storage, nuclear fuel and irradiated containment materials, and materials of geological importance. Previously, he was a postdoctoral research associate at ORNL, working on the NOMAD instrument, SNS beam line 1B, and helping both with conducting User experiments, performing complimentary computational modeling and simulation, and developing data reduction software. He received his PhD in chemical engineering from the University of Tennessee, where he used both ab initio and empirical potential molecular dynamics to study polymeric membrane materials.