My research contributions span computational chemistry, molecular dynamics simulations, high-throughput materials screening, and sustainable materials applications. The following peer-reviewed publications reflect my interdisciplinary approach integrating theory, modeling, and experimental insight.

Jamal, M., Nazar, M., Al-Hazmi, G.A.A.M.

Exploring the lead-free inorganic double perovskites Cs₂KMl₆ (M = Li, Na) based on high-throughput screening and first-principles calculations.
Inorganic Chemistry Communications, 175, 114122 (2025).

Asha, A.S., Jamal, M., Gravelle, S., Mayes, M.L., Shen, C.

Exploring the impact of minor water content on polymer electrolytes using molecular dynamics simulations.
The Journal of Physical Chemistry B, 129(3), 1061–1069 (2025).

Adeel, S., Abrar, S., Kiran, S., Farooq, T., Gulzar, T., Jamal, M.

Sustainable application of natural dyes in the cosmetic industry.
In Handbook of Renewable Materials for Coloration and Finishing (2018).