2 papers
cond-mat.mtrl-sci2026
Simulations of High Temperature Decomposition of Metal-Organic Frameworks to form Amorphous Catalysts
Connor W. Edwards, Oliver M. Linder-Patton, Jack D. Evans
Metal-organic framework (MOF) derived materials formed through high temperature processes show great potential as catalysts. However, understanding of structure-property relationsh…
cond-mat.mtrl-sci2025
Evaluating Mechanical Property Prediction across Material Classes using Molecular Dynamics Simulations with Universal Machine-Learned Interatomic Potentials
Konstantin Stracke, Connor W. Edwards, Jack D. Evans
We assess the accuracy of six universal machine-learned interatomic potentials (MLIPs) for predicting the temperature and pressure response of materials by molecular dynamics simul…