Marshall T McDonnell Research Software Engineer Contact mcdonnellmt@ornl.gov | 865.560.6227 All Publications Local magnetic cluster size identified by neutron total scattering in the site-diluted spin glass SnxFe4−xN (x=0.88)... Oxygen point defect accumulation in single-phase UO2+x... Mechanistic Insights into the Superexchange-Interaction-Driven Negative Thermal Expansion in CuO... Reactive molecular dynamics simulations of an excess proton in polyethylene glycol-water solutions... Time-of-flight neutron total scattering with applied electric fields: Ex situ and in situ studies of ferroelectric materials... Guest–Host Interactions in Mixed CH4–CO2 Hydrates: Insights from Molecular Dynamics Simulations... Li-ion Localization and Energetics as a Function of Anode Structure... Pagination First page « First Previous page ‹‹ Page 1 Current page 2 Key Links Curriculum Vitae ORCID Organizations Computing and Computational Sciences Directorate Computer Science and Mathematics Division Advanced Computing Systems Research Section Application Engineering Group