24 citations · 25 across the 2 of their papers we have counts for
3 papers · 1 filter
A Reactive Molecular Dynamics Model for Uranium/Hydrogen Containing Systems
A. Soshnikov, R. K. Lindsey, A. Kulkarni +1
Uranium-based materials are valuable assets in the energy, medical, and military industries. However, understanding their sensitivity to hydrogen embrittlement is particularly chal…
Enhancing the Accuracy of Density Functional Tight Binding Models Through ChIMES Many-body Interaction Potentials
Nir Goldman, Laurence E. Fried, Rebecca K. Lindsey +2
Semi-empirical quantum models such as Density Functional Tight Binding (DFTB) are attractive methods for obtaining quantum simulation data at longer time and length scales than pos…
Hydrogen in Disordered Titania: Connecting Local Chemistry, Structure, and Stoichiometry through Accelerated Exploration
James Chapman, Kyoung E. Kweon, Yakun Zhu +8
Hydrogen incorporation in native surface oxides of metal alloys often controls the onset of metal hydriding, with implications for materials corrosion and hydrogen storage. A key r…