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Avijit Rakshit
Avijit Rakshit
Jawaharlal Nehru University
Chemistry
Monte Carlo method
Computational chemistry
Maxima and minima
Hybrid Monte Carlo
5
Papers
59
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Atlas of putative minima and low-lying energy networks of water clusters n = 3–25
2019
Journal of Chemical Physics
Avijit Rakshit
Pradipta Bandyopadhyay
Joseph P. Heindel
Sotiris S. Xantheas
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Understanding the structure and hydrogen bonding network of (H2O)32 and (H2O)33: an improved Monte Carlo temperature basin paving (MCTBP) method and quantum theory of atoms in molecules (QTAIM) analysis
2017
RSC Advances
Avijit Rakshit
Takamasa Yamaguchi
Toshio Asada
Pradipta Bandyopadhyay
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A combination of Monte Carlo Temperature Basin Paving and Graph theory: Water cluster low energy structures and completeness of search
2016
Journal of Chemical Sciences
Rajan Shrivastava
Avijit Rakshit
Sudhanshu Shanker
Lovekesh Vig
Pradipta Bandyopadhyay
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Citations (1)
Low energy isomers of (H2O)25 from a hierarchical method based on Monte Carlo temperature basin paving and molecular tailoring approaches benchmarked by MP2 calculations
2014
Journal of Chemical Physics
Nityananda Sahu
Shridhar R. Gadre
Avijit Rakshit
Pradipta Bandyopadhyay
Evangelos Miliordos
Sotiris S. Xantheas
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Citations (16)
Finding low energy minima of (H2O)25 and (H2O)30 with temperature basin paving Monte Carlo method with effective fragment potential: New ‘global minimum’ and graph theoretical characterization of low energy structures
2013
Computational and Theoretical Chemistry
Avijit Rakshit
Pradipta Bandyopadhyay
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Citations (14)
1