2 papers
cond-mat.mtrl-sci2026
Structural, Energetic, Electronic, and Vibrational Properties of Boron-Substituted Tungsten Clusters
Akshata M. Waghmare, Gautam S. Kamat, Sajeev S. Chacko +2
We report a study of the density functional theory of the structural, electronic and vibrational properties of small tungsten-boron clusters using the B3LYP exchange-correlation fu…
physics.atm-clus2024
Structural and Energetic Stability of the Lowest Equilibrium Structures of Water Clusters
Vishwa K. Bhatt, Sajeev S. Chacko, Nitinkumar M. Bijewar +1
In the present work, the low-lying structures of 20 different-sized water clusters are extensively searched using the artificial bee colony algorithm with TIP4P classical force fie…