G. P. Das – TCG Crest

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)

Recent Plenary/Keynote Lectures & Invited Talks

DFT implementations with different basis sets, Invited Talk in International Conference 60 Years of DFT : Advancements in Theory & Computation (DFT-60), IIT Mandi, 22-26 July 2024 (Co-organizer & Member Advisory Committee).
Designing solid electrolytes for cheaper, safer and greener batteries, International Conference on Materials Genome (ICMG-III), SRM-AP University, 22-24 February, 2024 (Member, Advisory Board & Organizing Committee)
DFT the workhorse for designing materials for energy storage and conversion, Invited Talk at Energy Summit – 2023, IIT Madras, December 2023
Berry curvature induced transport in Weyl semimetals : A case study, Invited talk in International Conference on Emerging phenomena in quantum materials, Swedish Research Council, Bharatpur, 11-15 December 2024 (Member, Organizing Committee)
Computational design of materials for energy storage, Invited Talk, New Approaches and Machine learning Methods for Ab initio calculations (NAMMA) Psi-k Workshop, 24-28 July 2023 (Co-Organizer)
Giant anomalous thermal Hall effect in tilted type-I magnetic Weyl semimetal Co₃Sn₂S₂’, Invited Talk at 11^th International Conference on Materials for Advanced Technologies (ICMAT-2023), Singapore, 26-30 June, 2024
DFT implementations with different basis-sets some practical guidelines, Invited Talk in EESTER Workshop-cum-Conference, SRM-IST & IIT Madras, Chennai, 4-12 January, 2024 (Member, Organizing Committee)

Recent Popular Lectures, Invited Colloquia

DFT a complementary tool of Diffraction and Spectroscopy experiments, Inaugural Lecture, Refresher Course on ‘X-ray Crystallography and X-Ray Photoelectron Spectroscopy with DFT calculations’, IIT-ISM Dhanbad, 16 August 2024
Physics and Chemistry of Energy Storage: From Batteries to Hydrogen, Invited Lecture as Resource Person, C.K. Majumdar Memorial Workshop on Physics (Silver Jubilee Year), 30 July, 2024
Physics and Chemistry of Energy Storage: From Batteries to Hydrogen, Invited Lecture in JBNSTS Science Camp, BITM Kolkata, 31 March 2024
Green Energy and Sustainability, Popular Science Lecture, National Science Day (NSD-2024), TCG-CREST, Kolkata, 5 March 24
High performance computing methods for quantum modelling of materials, Invited Guest Lecture, Department of Computational and Data Science, at IISc Bangalore, 28 February 2024
Green Energy for Sustainable Future, Pradip Kumar Sarkar Memorial Public Lecture, Ramakrishna Mission Golpark, Kolkata, 13 February, 2024
Emerging World of Topological Semimetals, Invited Seminar, Indian Institute of Metals (IIM) Kharagpur Chapter, IIT Kharagpur, 01 February, 2024.
Chemical bonding analysis in large scale systems using DFT-FE : Application to Si-C nanocluster for hydrogen storage, Colloquium, Angstromlaboratoriate Uppsala University (as part of Sweden – India STINT Project), 12 October, 2023
Computational Design of Materials for Energy Storage, Colloquium, University of Sydney, (as part of IITM-Usyd-TCGCREST collaboration visit), 8 September, 2023
Symmetry, Topology and Quantum Condensed Matter’, K. Majumdar Memorial Summer Workshop in Physics (CKMMSWP-2023), S.N. Bose National Centre, Kolkata, 20 July, 2024
Interatomic Potential, Special Memorial Lecture on Centenary Celebration of Prof. Shyamal Sengupta, CKMMSWP-2023, S.N. Bose National Centre, Kolkata, 18 July 2023
Berry curvature and anomalous thermal Hall effect in magnetic Weyl semimetal : a case study’, Colloquium, IISER Bhopal, 7 July, 2023
The 2D Materials Renaissance, Colloquium, Presidency University Kolkata, 19 April 2023
The brave new world of 2D materials and their heterostructures’, Colloquium at UM-DAE CEBS, Univ. of Mumbai, 28 March 2023
DFT an indispensable tool to design materials for energy storage and conversion, Colloquium, IISER Pune, 27 March, 2023
The emergence of 2D materials and devices, Invited Colloquium, National Science Day-2023, Theme : Global Science & Global Wellbeing, IIT-ISM Dhanbad, 17 March 2023
Emerging Directions in Physics of Materials, Lecture series, UGC Refresher Course, RCPHYS-2023, Jadavpur University, 18 February, 2023

Publications

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

Publications (2022-23) :

“Optimizing solid electrolytes with 3d transition metal doped Li₃YCl₆ for Li-ion batteries”, Tanmoy Paul, Abhik Banerjee, Gour P. Das, Biplab Sanyal, Phys. D: Applied Phys. 57, 145503 (2024).
“Mechanical behavior of Ni/Ti bilayer-based shape memory alloys: Endorsement via Atomistic simulations”, Tapasendra Adhikary, Gour Prasad Das, Somjeet Biswas and Shampa Aich, J. Process Mech. Engg. 238 1 (2024).
“Understanding the role of four-phonon scattering in the lattice thermal transport of monolayer MoS₂”, Saumen Chaudhuri, A. Bhattacharya, A. K. Das, P. Das and B. N. Dev, Phys. Rev. B 109, 235424 (2024).
“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. 6 (22), 11694-11794 (2023).
“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).
“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).
“Combined experimental and DFT studies of Co₈₂Zr₁₂V_6-xB_xmelt-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).
“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),
“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).
“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)
“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).
“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)
“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)
“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.