Research areas:
Force-field development,
Carbon reduction,
Carbon capture,
Alkali metal batteries,
Electrode-electrolyte interfaces.
Methods:
Classical molecular dynamics,
Density functional theory,
Ab-initio molecular dynamics,
Solid-state electronic structure.
Ion-channels in Adpn-LiI molecular crystals - Mater. Horiz. 2025 Just Accepted
Water-ion recombination in nanoscale small droplets - JACS 2025, 147, 8, 6583-6593
Grain-boundary conduction in isomorphic lithium soft-solid electrolytes - Chem. Mater. 2025, 37, 5, 1798–1809
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