1 citations · 1 across the 2 of their papers we have counts for
2 papers
cond-mat.mtrl-sci2026
Evaluating dispersion models for ab initio simulation of G-I and G-II molten fluoride salts
Shubhojit Banerjee, Rajni Chahal-Crockett, Julian Barra +1
Ab initio molecular dynamics (AIMD) based on density functional theory (DFT) is a powerful approach for modeling molten salts. However, standard exchange-correlation functionals of…
cs.LG2024★ 1 cited
Generalizable Prediction Model of Molten Salt Mixture Density with Chemistry-Informed Transfer Learning
Julian Barra, Shayan Shahbazi, Anthony Birri +6
Optimally designing molten salt applications requires knowledge of their thermophysical properties, but existing databases are incomplete, and experiments are challenging. Ideal mi…