160 citations · 1.2k across the 53 of their papers we have counts for
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cond-mat.mtrl-sci2015★ 13 cited
Exploring N-rich phases in LixNy clusters for hydrogen storage at nano-scale
Amrita Bhattacharya, Saswata Bhattacharya
We have performed cascade genetic algorithm and ab initio atomistic thermodynamics under the framework of first-principles density functional theory to study the (meta-)stability o…
cond-mat.mtrl-sci2015★ 32 cited
Computational Design of Nanoclusters by Property-Based Genetic Algorithms: Tuning the Electronic Properties of (TiO) Clusters
Saswata Bhattacharya, Benjamin H. Sonin, Christopher J. Jumonville +2
In order to design clusters with desired properties, we have implemented a suite of genetic algorithms tailored to optimize for low total energy, high vertical electron affinity (V…