203 citations · 359 across the 6 of their papers we have counts for
3 papers · 1 filter
SuperSalt: Equivariant Neural Network Force Fields for Multicomponent Molten Salts System
Chen Shen, Siamak Attarian, Yixuan Zhang +4
Molten salts are crucial for clean energy applications, yet exploring their thermophysical properties across diverse chemical space remains challenging. We present the development…
Best Practices for Fitting Machine Learning Interatomic Potentials for Molten Salts: A Case Study Using NaCl-MgCl2
Siamak Attarian, Chen Shen, Dane Morgan +1
In this work, we developed a compositionally transferable machine learning interatomic potential using atomic cluster expansion potential and PBE-D3 method for (NaCl)1-x(MgCl2)x mo…
Studies of Ni-Cr complexation in FLiBe molten salt using machine learning interatomic potentials
Siamak Attarian, Dane Morgan, Izabela Szlufarska
In nuclear and/or solar applications that involve molten salts, impurities frequently enter the salt as either fission products or via corrosion. Impurities can interact and make c…