Dr. Saswata Bhattacharya

Dr. Saswata Bhattacharya
Assistant Professor
Indian Institute of Technology Delhi
Hauz Khas,New Delhi-110016
Tel:+91-11-2659 1359

Areas of Research Interest:

  1. Method development in:
    • Genetic algorithm
    • Machine learning
    • Predicting (meta-)stability of materials at finite temperature and pressure.
  2. Application Area in:
    • Clusters and catalysis
    • Graphene like 2D planar materials
    • Bulk and nano-materials for Hydrogen storage
    • Defects in semiconductors

Expertise and technical skill:

  1. Classical Force field e.g. ReaxFF, LJ, etc.
  2. Ground State Electronic Structure calculations: Density Functional Theory with local/semi-local/hybrid functional.
  3. Excited State Electronic Structure Calculations: Renormalized Second order Perturbation Theory, GW.
  4. Dynamics: ab initio Molecular Dynamics, Replica Exchange Molecular Dynamics.
  5. Reaction Path: Nudged Elastic Band, Intrinsic Reaction Coordinate Calculations.
  6. Electronic Structure Code: FHI-aims, VASP, WIEN2K, GAUSSIAN, DMOL3, CASTEP, QUANTUM ESPRESSO, LMTO.
  7. Hardcore Programming: Fortran, Perl, Python, Matlab, Shell, etc.

Academic and Professional Background:

  1. 04/2015 - onwards: Assistant Professor at Department of Physics, Indian Institute of Technology Delhi (IIT/D) Hauz Khas, New Delhi-110016, INDIA.
  2. 10/2011 - 03/2015: postdoctoral fellow under Max-Planck-fellowship at the theory department of Fritz-Haber-Institut der Max-Planck-Gesellschaft, Berlin, Germany. Advisor: Prof. Matthias Scheffler.
  3. 01/2006 - 09/2011: Ph.D student under CSIR fellowship at the Department of Materials Science, Indian Association for the Cultivation of Science, Jadavpur, Kolkata, India. Advisor: Prof. G. P. Das.
  4. 08/2003 - 12/2005: MSc. in Physics (with specialization in Solid State Physics) from the Jadavpur University, Kolkata.

Selected Awards:

  • Max-Planck Fellowship for postdoctoral study, Oct, 2011-March, 2015.
  • Deutscher Akademischer Austauschdienst Dienst (DAAD) Travel grant, 2012.
  • CSIR Research Fellowship, CSIR-India, 2006-2011.
  • Research grant to visit Physics department in National University of Singapore for six months stay, 2007-2008.
  • National Merit Scholarship for academic excellence, Govt. of India, 1998, 2000, 2003.
  • National Science Talent Scholar, 1995-1996.
  • Certificate of appreciation for valuable contribution by American Chemical Society in February 2013.
  • Young Physicist award, Indian Physical Society, 2009.
  • Medal for highest marks in all subjects in Hooghly Mohsin College, 2003.

Selected Publications (Google scholar h-index=9 as on 7/4/2015):

  1. Computational Design of Nanoclusters by Property-Based Genetic Algorithms: Tuning the Electronic Properties of (TiO2)n Clusters: S. Bhattacharya, B. H. Sonin, C. J. Jumonville, L. M. Ghiringhelli, N. Marom, Phys. Rev. Lett. (under review)/arXiv:1501.05855.
  2. Formation of Water Chains on CaO(001): What Drives the 1D Growth? : X. Zhao, X. Shao, Y. Fujimori, S. Bhattacharya, L. M. Ghiringhelli, H. Freund, M Sterrer, N. Nilius, S. V. Levchenko, J. Phys. Chem. Lett. 6, 1204 (2015).
  3. Efficient ab initio schemes for finding thermodynamically stable and metastable atomic structures: benchmark of cascade genetic algorithms : S. Bhattacharya, S. V. Levchenko, L. M. Ghiringhelli, M. Scheffler, New. J. Phys. 16, 123016 (2014).
  4. Stability and Metastability of Clusters in a Reactive Atmosphere: Theoretical Evidence for Unexpected Stoichiometries of MgMOx: S. Bhattacharya, S. V. Levchenko, L. M. Ghiringhelli, M. Scheffler, Phys. Rev. Lett. 111, 135501 (2013).
  5. Exploring semiconductor substrates for silicene epitaxy: A. Bhattacharya, S. Bhattacharya, G. P. Das, Appl. Phys. Lett. 103, 123113 (2013).
  6. Band gap engineering by functionalization of BN sheet: A. Bhattacharya, S. Bhattacharya, G.P. Das, Phys. Rev. B 85, 035415 (2012).
  7. Strain-induced band-gap deformation of H/F passivated graphene and h-BN sheet: A. Bhattacharya, S. Bhattacharya, G. P. Das, Phys. Rev. B 84, 075454 (2011).
  8. Third conformer of graphene: A first-principles density functional theory study : A. Bhattacharya, S. Bhattacharya, C. Majumder, G.P. Das, Phys. Rev. B 83, 033404 (2011).
  9. Ti-Decorated BC4N Sheet: A planar Nanostructure for High-Capacity Hydrogen Storage: S. Bhattacharya, C. Majumder, G. P. Das J. Phys. Chem. C (Letter) 113, 15783 (2009).
  10. Hydrogen Storage in Ti-Decorated BC4N Nanotube: S. Bhattacharya, C. Majumder, G. P. Das, J. Phys. Chem. C (Letter) 112, 17487 (2008)