A system associated with several number of weak interactions supports numerous number
of stable structures within a narrow range of energy. Often, a deterministic search method …

In this communication, we would like to discuss the advantages of adaptive mutation
simulated annealing (AMSA) over standard simulated annealing (SA) in studying the …

In this work we obtained global as well as local structures of Br2 (−)(H2O) n clusters for n= 2
to 6 followed by the study of IR-spectral features and thermochemistry for the structures. The …

Clusters can exhibit enormous structural diversities and in most cases with the increase in
size, the number of conformers that can be supported by the potential energy surface …

We have used a replica exchange Monte‐Carlo procedure, popularly known as Parallel
Tempering, to study the problem of Coulomb explosion in homogeneous Ar and Xe …

The problem of Coulomb explosion in dicationic neon gas clusters has been investigated
with special emphasis on the role of the vibrational contribution. The problem has been …

Both symmetric and asymmetric forms of the iodide acetonitrile dimer complex are known to
exist with a higher stability shown by the symmetric isomer. Dynamics of this isomerization …

The combination of spectroscopy studies with simulation models can be a useful tool to
predict the applications of macromolecules. However, it is currently unknown if applications …

In this work, we have used the stochastic search strategy of adaptive mutation simulated
annealing (AMSA) as the search tool to explore quantum chemical potential energy to find …

In this work, parallel tempering has been used to explore the quantum chemical surface of
SCN (−)(H 2 O) n system for n= 1− 8. The stretching frequencies and more specifically the …