127 citations · 457 across the 12 of their papers we have counts for
13 papers
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…
Hydrogenated-Graphene encapsulated Graphene: A versatile material for device applications
Mohammed Ghadiyali, Sajeev Chacko
Graphene and its heterostructures exhibit interesting electronic properties and are explored for quantum spin Hall effect(QSHE) and magnetism based device applications. In present…
Confinement of wave-function in Fractal geometry, a detection using DFT
Mohammed Ghadiyali, Sajeev Chacko
Fractals are self-repeating patterns which have dimensions given by fractions rather than integers. While the dimension of a system unambiguously defines its properties, a fraction…
Multicomponent H2 in DLA at zabs = 2.05: physical conditions through observations and numerical models
Katherine Rawlins, Raghunathan Srianand, Gargi Shaw +3
We perform detailed spectroscopic analysis and numerical modelling of an H2-bearing damped Lyman-alpha absorber (DLA) at zabs = 2.05 towards the quasar FBQS J2340-0053. Metal absor…
Band splitting in bilayer stanene electronic structure scrutinized via first principle DFT calculations
Mohammed Ghadiyali, Sajeev Chacko
The recent work on stanene as quantum spin Hall insulators made us investigate bilayer stanene using first principle calculations. With an aim of improving and developing new prope…
Hydrogen adsorption on Na-SWCNT systems
Balasaheb. J. Nagare, Darshan Habale, Sajeev Chacko +1
We investigate the hydrogen adsorption capacity of Na-coated carbon nanotubes (Na-SWCNTs) using first-principles electronic structure calculations at absolute temperature and press…