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Rajni Chahal

Postdoctoral Research Associate

Contact

CHAHALR@ORNL.GOV

All Publications

Transferable Deep Learning Potential Reveals Intermediate-Range Ordering Effects in LiF–NaF–ZrF4 Molten Salt
Designing Physicochemically-Ordered Interphases for High-Performance Composites
Liquid–Vapor Phase Equilibrium in Molten Aluminum Chloride (AlCl3) Enabled by Machine Learning Interatomic Potentials...
Ab initio simulated Van Hove correlation function for time-resolved local dynamics in molten MgCl2...
Deep-Learning Interatomic Potential Connects Molecular Structural Ordering to the Macroscale Properties of Polyacrylonitrile...
Chemistry Informed Machine Learning-Based Heat Capacity Prediction of Solid Mixed Oxides
Tracing mechanistic pathways and reaction kinetics toward equilibrium in reactive molten salts
High-Throughput Prediction of Molten Salt Mixture Density with Supervised Machine Learning
Multiobjective Hyperparameter Optimization for Deep Learning Interatomic Potential Training Using NSGA-II

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Physical Sciences Directorate
Chemical Sciences Division
Separations and Polymer Chemistry Section
Chemical Separations Group

Related News

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Decoding reactive species in molten salts
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