Ali Lashani Zand is a Postdoctoral Researcher at Aalto University, specializing in computational materials science and energy storage systems. His research integrates density functional theory (DFT), ab initio molecular dynamics (AIMD), and machine learning interatomic potentials to study atomic-scale mechanisms governing ion transport, structural evolution, and thermodynamic behavior in functional materials.
His work focuses on nanostructured carbon materials, solid-state batteries, and silicon-based anodes, with particular emphasis on understanding diffusion processes, interfacial phenomena, and phase behavior under realistic operating conditions.
Recently, his research has expanded toward multiscale modeling frameworks, combining first-principles accuracy with large-scale simulations to enable predictive studies of thermal transport and electrochemical performance.