Journal Publications

Published / Accepted​

• S. Ghosh, A.S. Banerjee and P. Suryanarayana (2019): Symmetry-adapted real-space density functional theory for cylindrical geometries: Application to large group-IV nanotubes;                                                                      Physical Review B; Volume 100 (Issue 12), 125143. [.pdf] 

• A.S. Banerjee, L. Lin, P. Suryanarayana, C. Yang and J.E. Pask (2018): Two-level Chebyshev filter based complementary subspace method: pushing the envelope of large-scale electronic structure calculations;                  Journal of Chemical Theory and Computation; Volume 14 (6), Pages 2930–2946. [.pdf]

• W. Hu, L. Lin, A.S. Banerjee, E. Vecharynski and C. Yang (2017): Adaptively Compressed Exchange Operator for Large Scale Hybrid Density Functional Calculations with Applications to the Adsorption of Water on Silicene; Journal of Chemical Theory and Computation; Volume 13 (3), Pages 1188–1198. [.pdf]

• A.S. Banerjee, L. Lin, W. Hu, C. Yang and J.E. Pask (2016): Chebyshev polynomial filtered subspace iteration in the Discontinuous Galerkin method for large-scale electronic structure calculations; The Journal of Chemical Physics; Volume 145 (15), 154101. [.pdf]

• A.S. Banerjee and P. Suryanarayana (2016): Cyclic Density Functional Theory : A route to the first principles simulation of bending in nanostructures; Journal of the Mechanics and Physics of Solids; Volume 96, Pages 605 –631. [.pdf]

• A.S. Banerjee, P. Suryanarayana and J.E. Pask (2016): Periodic Pulay method for robust and efficient convergence acceleration of self-consistent field iterations; Chemical Physics Letters; Volume 647, Pages 31–35. [.pdf]

• A.S. Banerjee, R. S. Elliott and R. D. James (2015): A spectral scheme for Kohn-Sham density functional theory of clusters; Journal of Computational Physics; Volume 287, Pages 226–253. [.pdf]

• A.S. Banerjee, A.C. Mandal and J. Dey (2006): Particle image velocimetry studies of an incipient spot in the Blasius boundary layer; Experiments in Fluids; Volume 40 (6), Pages 928–941. [.pdf]                                                                                                                

In Preparation​

• A.S. Banerjee and R.S. Elliott (2018): A systematic framework for the study of a certain class of frequently occurring non-generic degeneracies;

• A.S. Banerjee and P. Suryanarayana (2018): Ab initio framework for simulating systems with helical symmetry: formulation, implementation and applications to torsional deformations in nanostructures; 

• A.S. Banerjee and C. Reina (2018): On the propagation of elastic waves in helical composites and helical structures;

Theses

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• A.S. Banerjee (2013): Density Functional Methods for Objective Structures: Theory and Simulation Schemes;  Ph.D. Thesis; University of Minnesota, Minneapolis, USA. [.pdf]

• A.S. Banerjee (2011): Harmonic analysis on isometry groups of Objective Structures and its applications to Objective Density Functional Theory; M.S. Thesis; University of Minnesota, Minneapolis, USA. 

• A.S. Banerjee (2007): Numerical simulation studies on cavity flows;  Undergraduate Thesis; Indian Institute of Technology, Kharagpur, India .