29 citations · 107 across the 11 of their papers we have counts for
4 papers · 1 filter
Online simulation powered learning modules for materials science
Samuel Temple Reeve, David M. Guzman, Lorena Alzate-Vargas +3
Simulation tools are playing an increasingly important role in materials science and engineering and beyond their well established importance in research and development, these too…
Functional uncertainty quantification for isobaric molecular dynamics simulations and defect formation energies
Samuel Temple Reeve, Alejandro Strachan
Functional uncertainty quantification (FunUQ) was recently proposed to quantify uncertainties in models and simulations that originate from input functions, as opposed to parameter…
Tunability of martensitic behavior through coherent nanoprecipitates and other nanostructures
Samuel Temple Reeve, Karthik Guda Vishnu, Alexis Belessiotis-Richards +1
Molecular dynamics simulations show that coherent precipitates can significantly affect the properties of martensitic transformations in NiAl alloys. The precipitates…
Implementing a neural network interatomic model with performance portability for emerging exascale architectures
Saaketh Desai, Samuel Temple Reeve, James F. Belak
The two main thrusts of computational science are more accurate predictions and faster calculations; to this end, the zeitgeist in molecular dynamics (MD) simulations is pursuing m…