Marshall T McDonnell Research Software Engineer Contact mcdonnellmt@ornl.gov | 865.560.6227 All Publications Raman spectroscopic investigation of selected natural uranyl sulfate minerals Best practices for documenting a scientific Python project CURIES: Compendium of uranium Raman and infrared experimental spectra Leveraging Single-Page Applications for Seamless Scientific Workflows: DevSecOps Considerations Research Software Engineering at Oak Ridge National Laboratory Calvera: A Platform for the Interpretation and Analysis of Neutron Scattering Data Towards a Software Development Framework for Interconnected Science Ecosystems In situ inelastic neutron scattering of mixed CH4–CO2 hydrates... drtsans: The data reduction toolkit for small-angle neutron scattering at Oak Ridge National Laboratory... Structural analyses of amorphous calcium carbonate before and after removing strontium ions from an aqueous solution... Intermolecular correlations of liquid and glassy CS2 studied by synchrotron radiation x-ray diffraction... Local structure analysis of low-temperature neutron pair distribution function coupled with molecular dynamics simulations of... Research Software Engineering Efforts for DataFlow: FY2021 Developments... Research Software Engineering Efforts for DataFed: FY2021 Developments... Dual Orbital Degeneracy Lifting in a Strongly Correlated Electron System... Entropy Pair Functional Theory: Direct Entropy Evaluation Spanning Phase Transitions... Illustrated formalisms for total scattering data: a guide for new practitioners... 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)... Pagination Current page 1 Page 2 Next page ›› Last page Last » Key Links Curriculum Vitae ORCID Organizations Computing and Computational Sciences Directorate Computer Science and Mathematics Division Advanced Computing Systems Research Section Application Engineering Group
