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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…
physics.atm-clus2023
Machine-Learned Potential Energy Surfaces for Free Sodium Clusters with Density Functional Accuracy: Applications to Melting
Balasaheb J. Nagare, Sajeev Chacko, Dilip. G. Kanhere
Gaussian Process Regression-based Gaussian Approximation Potential has been used to develop machine-learned interatomic potentials having density-functional accuracy for free sodiu…