Marshall McDonnell Research Software Engineer Contact MCDONNELLMT@ORNL.GOV All Publications Entropy Pair Functional Theory: Direct Entropy Evaluation Spanning Phase Transitions... Local structure and distortions of mixed methane-carbon dioxide hydrates Structure and properties of densified silica glass: characterizing the order within disorder First Experiments New Science Opportunities at the Spallation Neutron Source Second Target Station (abridged) First Experiments: New Science Opportunities at the Spallation Neutron Source Second Target Station... Molecular Rotational Dynamics in Mixed CH4–CO2 Hydrates: Insights from Molecular Dynamics Simulations... Correlated disorder-to-order crossover in the local structure of KxFe2−ySe2−zSz Reverse Monte Carlo modeling for low-dimensional systems 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
Research Highlight Discovery of Spectrographic Features in Uranium Compounds through Machine Learning
