C. Pratap Singh, Samal, P. Paramita, and Krishnamurty, S., ?Thermal stability of an endohedrally doped aluminum nanoclusters: a BOMD study?, Theoretical Chemistry Accounts, vol. 140, no. 9, p. 132, 2021.

C. Pratap Singh and Krishnamurty, S., ?Synergetic storage of ammonia over Al quantum dots embedded graphene sheets: a first principles perspective?, International Journal of Hydrogen Energy, vol. 47, no. 87, pp. 36873-36885, 2022.

N. S.  Samudre, Singh, C. Pratap, and Krishnamurty, S., ?Understanding the thermal stability of a 3d, 4d, and 5d element doped aluminium nanocluster through BOMD simulations?, Molecular Simulation, vol. 49, no. 3, pp. 245-250, 2023.