Emeritus Professor, RISE


Prof. G.P. Das is a Condensed Matter Physicist cum Materials Scientist, whose research interests include electronic structure and properties of materials from bulk to nano, with specific applications in materials science and nano-devices. He did his Masters in Physics from Calcutta University, PhD from Bombay University, followed by post-doctoral research in Max Planck Institute for Solid State Research in Stuttgart. He served as Senior Scientist in BARC Mumbai, Senior Professor in IACS Kolkata, Visiting Professor in IIT Kharagpur and more recently as a Distinguished Visiting Faculty in St. Xavier’s College Kolkata. He made important contributions in the field of first principles investigation of alloys and intermetallics, energy materials, two-dimensional materials as well as semiconductor spintronics. He has authored and co-authored more than 150 research publications in peer reviewed journals, book chapters etc. Prof. Das served as visiting scientist in MPI Stuttgart, Virginia Commonwealth University, Richmond, Institute of Materials Research, Sendai and University of New South Wales. He has also spearheaded a number of research programmes nationally and internationally. He is a fellow of the West Bengal Academy of Science and Technology, and is recipient of the MRSI silver jubilee award and the ACCMS award in recognition of high level research work on Computer Aided Design of Materials. Apart from this, Prof. Das has been invited speaker in a large number of international conferences and workshops within India and abroad, and is known for his passion in delivering pedagogic level lectures at various levels.

Research Areas

  • Materials simulation and design using first-principles Density Functional Theory
  • Energy Materials, Hydrogen storage, Photocatalytic materials, Fuel Cells and Battery materials, Thermoelectric materials and various Functional Materials
  • Graphene and related 2-dimensional nanostructures.
  • Spintronics Materials based on Diluted Magnetic Semiconductor (DMS) and Diluted Magnetic Oxide (DMO)
  • Topological materials and quantum structures
  • Ab initio molecular dynamics of metallic and semiconducting clusters
  • Phase stability and configurational thermodynamics of binary alloys.
  • Cohesive, Electronic and Magnetic properties of ordered and disordered condensed systems
  • Electronic properties of epitaxial metal/semiconductor and metal/ceramic interfaces, metallic multilayers and polytypes.
  • Electron momentum density distributions in solids (using Compton Scattering and Positron Annihilation).

Positions held

  • Distinguished Visiting Faculty, St. Xavier’s College (July 2021 – June 2022)
  • Visiting Professor, IIT Kharagpur (June 2018 – June 2021)
  • Senior Professor, Dept. of Materials Science, IACS, Kolkata, 2006 – 2018
  • Professor, Dept of Materials Science, IACS, Kolkata 2004 – 2006
  • Adjunct Professor, IIEST Shibpur (2010), Distinguished Visiting Professor of PSG Institute of Advanced Studies, Coimbatore (2014), Adjunct Faculty, MAKAUT, WB (2019)
  • Senior Scientist, Bhabha Atomic Research Centre, Mumbai, 1989-2004.
  • Scientific Officer, Bhabha Atomic Research Centre, Mumbai, 1978-1989

Awards & Recognitions

  • ACCMS International Award, by the Asian Consortium on Computational Materials Science, in recognition of high level research work on Computer Aided Design of Materials.
  • Chair of Psik-2020 Theme Symposium (2020) on “Materials for Energy”, Lausanne, Switzerland. (Postponed to 2022 due to Covid19)
  • Distinguished Speaker, Wright Patterson Air Force Base, Ohio, USA (2017)
  • Guest Editor of J. Phys. : Cond. Matter (JPCM) Special Issue “Ordering, Segregation and Order-Disorder Transition in Alloys” (2020-21)
  • Chairman, MRSI Subject Group on Computational Materials Science (since 2010)
  • President, Indian Association for the Physics Teachers (IAPT), RC-15 (since 2016)
  • Fellow, West Bengal Academy of Science & Technology (2005)


Publications on Energy Materials

Brief CV May22

List of Publications since 2008

Professor Gour P. Das co-organized along with JNCASR and IISc, Bangalore, the Psi-k India workshop “New Approaches and Machine Learning Methods for Ab-initio Calculations” (NAMMA) during 24-28 July 2023.

Please follow the link for further details.


Publications (2022-23) :

  1. “Giant anomalous thermal Hall effect in magnetic Weyl semimetal Co3Sn2S2“, Abhirup Roy Karmakar, S. Nandy, A. Taraphder, and G. P. Das, Rev. B 106, 245133 (2022).
  2. “Energy Harvesting from Atomically Thin Co2Te3“, Demiss, A. Karstev, M. Palit, P. Pandey, G.P. Das, O.M. Femi, A.K. Roy, P. Kumbhakar, P. M. Ajayan, C.S. Tiwary, J. Phys. Chem. 126, 12545 (2022).
  3. “Combined experimental and DFT studies of Co82Zr12V6-xBxmelt-spun ribbons to investigate structure and magnetic properties”, A. Oraon, T. Adhikary, P. Das, S. Ghosh, A. Garg, A. Raja S. Aich, J. Magn. Mag. Mater. 547, 168940 (2022).
  4. “Manifestation of Interface-Induced Effects of Two-Dimensional MSi2/Si(111) Quantum Heterostructures: A First Principles Study”, A.H.M. Abdul Wasey and P. Das, Physica E 142, 115291 (2022),
  5. “Electronic and Magnetic Properties of Vanadium Dichalcogenides: A Brief Overview on Theory and Experiment”. A.H.M. Abdul Wasey and P. Das, J. Appl. Phys. 131, 190701 (2022).
  6. “Ab initio study of electronic and lattice dynamical properties of monolayer ZnO under strain“, Saumen Chaudhuri, A. K. Das, P. Das, and B. N. Dev, J. Electron. Mater. 52, 1633 (2023)
  7. “Strain induced effects on the electronic and phononic properties of 2H and 1T’ monolayer MoS2”, Saumen Chaudhuri, A. K. Das, P. Das, and B. N. Dev, Physica B 655, 414701 (2023).
  8. “Strain driven anomalous anisotropic enhancement in the thermoelectric performance of monolayer MoS2”, Saumen Chaudhuri, A. Bhattacharya, A. K. Das, P. Das and B. N. Dev, Appl. Surf. Sci. 626, 157139 (2023)
  9. “Chemical Bonding in Large Systems Using Projected Population Analysis from Real-Space Density Functional Theory Calculations”, Kartick Ramakrishnan, Sai Krishna Kishore Nori, Seung-Cheol Lee, Gour P. Das, Satadeep Bhattacharjee,and Phani Motamarri, Chem. Theory Comput. 19 (13), 4216–4231 (2023)
  10. “Hydrostatic Pressure Induced Anomalous Enhancement in the Thermoelectric Performance of Monolayer MoS2” Saumen Chaudhuri, Amrita Bhattacharya, Amal K. Das, Gour P. Das and B. N. Dev, ACS Appl. Mater. (2023), in press. https://doi.org/10.1021/acsaem.3c02241  Cond-mat preprint arxiv 2308.00423.