PUBLICAITONS

2026

Atomistic Simulation Frameworks for Lithium-Ion Battery Materials: From First-Principles to Machine Learning Potentials

IU Haq, S Lee

Multiscale Science and Engineering, 1-11

2025

State-of-Charge-Dependent Anisotropic Lithium Diffusion and Stress Development in Ni-Rich NMC Cathodes: A Multiscale Simulation Study

IU Haq, HU Hassan, S Lee

Applied Sciences 15 (21), 11566

Unveiling State-of-Charge Effects on Elastic Properties of LiCoO2 via Deep Learning and Empirical Models

IU Haq, S Lee

Applied Sciences 15 (14), 7809

Molecular Dynamics Study of the Ni Content-Dependent Mechanical Properties of NMC Cathode Materials

IU Haq, S Lee

Crystals 15 (3), 272

2022

Chemo-mechanical model predicted critical SOCs for the mechanical stability of electrode materials in lithium-ion batteries

N Iqbal, IU Haq, S Lee

International Journal of Mechanical Sciences 216, 107034

2021

Progressive interface debonding in composite electrodes of Li-ion batteries via mixed-mode cohesive zone model: Effects of binder characteristics

N Iqbal, Y Ali, IU Haq, S Lee

Composite Structures 259, 113173