Muhammad Kaleem

8PUBLICATIONS
3CO-AUTHORS
Theoretical quantum chemistryPhotonics, optoelectronics and optical communicationsNuclear engineering (incl. fuel enrichment and waste processing and storage)Photovoltaic power systemsCondensed matter modelling and density functional theory
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Publications (8)

|Aug 01, 2026
AIMD-driven insights into the thermodynamic stability and thermoelectric performance of Li2YCuX6 (X = Cl, Br, I) double perovskites.

|Jun 26, 2026
K2LiXH6 (X = Zr, Mn) double perovskite hydrides for hydrogen storage: a DFT and AIMD investigation.

|Jun 16, 2026
DFT and SCAPS-1D investigation of Ae2LiSbI6 (Ae = Rb, Cs) perovskites for solar energy applications.

|May 22, 2026
Computational exploration of hydrogen storage potential in Mg2LiXH6 (X = Ti, V) hydrides via DFT and AIMD simulations.

|Mar 09, 2026
Stability and hydrogen storage potential of zirconium-based A2ZrH6 (A = Na, K) hydrides: a DFT and AIMD investigation.

Muhammad Kaleem, Amna Nasir, Zahid Sarfraz

|Feb 11, 2026
Optoelectronic and photovoltaic assessment of Na2ReAlO6 double perovskite: insights from DFT and SCAPS modeling.

Sanober Kanwal, Ahsan Illahi, Muhammad Kaleem

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Frequent Collaborators

6 joint publications

Malik Muhammad Asif Iqbal

6 joint publications

Asif Nawaz Khan

4 joint publications

Muhammad Abaidullah