LyX Document                      WELCOME TO MY HOMEPAGE 

                                    
    Chairing the first session of ICOPP-2024
                                            

Name: Alok Shukla

Place of Birth: Kanpur, India
Citizenship: Indian
Address: Department of Physics
  Indian Institute of Technology Bombay
  Powai, Mumbai 400076
  India
E-mail Address : shukla@phy.iitb.ac.in
Phone Numbers: +91-22-2576-7576 (Office)

Fax: +91-22-2572-3480 (Office)
Present Employment: Professor (HAG)
  Department of Physics
  Indian Institute of Technology Bombay
  Mumbai, India
Employment History:
  1. Professor of Physics (Higher Academic Grade), I.I.T. Bombay (Jan 1, 2020 - present)
  2. Professor of Physics, I.I.T. Bombay (Feb 27, 2009 - Dec 31, 2019)
  3. Professor and Head, Physics Department, Bennett University, Greater Noida (UP) (July 4, 2016 - June 29, 2018), on leave of absence from I.I.T. Bombay.
  4. Associate Professor of Physics, I.I.T. Bombay (March 22, 2003 – Feb 26, 2009)
  5. Assistant Professor of Physics, I.I.T. Bombay (Nov 1, 1999 – March 21, 2003)
  6. Research Associate, Department of Physics/Optical Sciences Center, University of Arizona, Tucson, AZ, USA (Nov 1998 - Oct 1999)
  7. Visiting Scientist, Max-Planck-Institut für Physik Komplexer Systeme Stuttgart and Dresden, Germany (June 1995 - Oct 1998)
  8. Fellow, Indian Institute of Astrophysics Bangalore, India (Oct 1993 - May 1995)
  9. Postdoctoral Fellow, Idaho National Engineering Laboratory Idaho Falls, Idaho, USA, (June 1991- Aug 1993)
  10. Teaching Assistant, Physics Department, Utah State University Logan, Utah, USA (1990-1991)
  11. Teaching and Research Assistant, Physics Department, University of Washington, Seattle, USA (1986-1989)
  12. Teaching Assistant, Physics Department, Iowa State University, Ames, Iowa, USA (1984-1986)
Academic Qualifications
Degree
Year
Granting Institution
B.Sc. (Physics, Chemistry, Mathematics)
1981
Kanpur University, Kanpur, India
M.Sc. (Physics)
1984
Indian Institute of Technology Kanpur, India
M.S. (Physics)
1987
University of Washington, Seattle, Washington U.S.A.
Ph.D. (Physics)
1991
Utah State University, Logan, Utah, U.S.A.

Teaching Experience

I worked as a teaching assistant (TA) at the Iowa State University, University of Washington, and Utah State University. My responsibilities as a TA included conducting physics labs, teaching recitation sections, and grading exams and homeworks in a variety of courses, both at the undergraduate and the graduate level. These courses ranged from introductory physics courses at the level of Resnick and Halliday, to graduate level quantum mechanics based on the book by Merzbacher. In Utah State, I also gave several lectures in a quantum many-body physics seminar, attended both by faculty members and graduate students. During the time that I spent as a fellow in the Indian Institute of Astrophysics in Bangalore, India, I taught Classical Mechanics and Statistical Mechanics to first year Ph.D. students. As a faculty member in I.I.T. Bombay, I have taught a large number of undergraduate and graduate courses such as, Thermodynamics, Computational Methods, Classical Mechanics, Mathematical Physics, Quantum Mechanics, Theoretical Condensed Matter Physics, Semiconductor Physics, and Electricity and Magnetism. Furthermore, in IIT Bombay I have taught laboratory courses for computer programming, as well as tutorial classes for Mechanics, Electricity and Magnetism, and Modern Physics.

Ongoing and Recently Taught Courses

  1. PH 227: AI and Data Science: Autumn 2024 (I taught the machine learning part of the course)
  2. PH 307: Introduction of Numerical Analysis: Spring 2024
  3. PH 112: Introduction to Quantum Physics: Spring 2023 (second half)
  4. PH 111: Introduction to Classical Physics: Spring 2023 (first half)
  5. PH 108: Basics of Electricity and Magnetism: Spring 2022
  6. PH 403: Quantum Mechanics 1: Autumn 2012, 2013, 2014, 2015
  7. PH 565: Semiconductor Physics: Autumn 2020, 2021
  8. PH 422: Quantum Mechanics 2: Spring 2019, 2020, 2021
  9. EP 222: Classical Mechanics (Autumn 2018).
  10. EECE102L: Object Oriented Programming in C++ , at Bennett University (partly, Spring 2018).
  11. EMAT201L: Complex Analysis and Partial Differential Equations, at Bennett University (Complex Analysis part, Fall 2017)
  12. EPHY102L: Electricity and Magnetism, at Bennett University (Spring 2017).
  13. EPHY101L: Classical Mechanics, at Bennett University (Fall 2016)
  14. PH 534: Quantum Information and Computing: Spring 2015, 2016
  15. PH 103/108: Electricity and Magnetism: Spring 2012, 2013, 2014
  16. EP 431: Semiconductor Physics: Autumn 2008, 2009, 2010, 2011
  17. PH 538: Theoretical Condensed Matter Physics: Spring 2010, 2011
  18. EP 307: Quantum Mechanics I for B.Tech. (EP) students: Spring 2009
  19. EP 220: Computational Techniques: Spring 2005, 2006, 2008

Research Interests

My research is primarily concerned with the theory of the electronic structure of atoms, molecules, clusters, and solids. I obtained my Ph. D. in the field of theoretical atomic many-body physics by calculating the electric dipole moment of Rb atom due to various possible parity and time-reversal violating interactions. For the purpose, first principles Dirac-equation-based many-electron calculations were carried out employing state-of-the-art many-body techniques. Furthermore, for my Ph. D. thesis I also developed a coupled-cluster method based linear-response formalism to compute the expectation values of one-electron operators. For my first post-doctoral position at the Idaho National Engineering Laboratory, I worked towards developing relativistic effective core potentials for Dirac equation-based many-electron calculations on atoms. During my post-doctoral years in Max-Planck Institutes in Stuttgart and Dresden, I worked on developing an ab initio formalism for performing many-particle calculations on solids, employing the Wannier functions. During my final post-doctoral position in the University of Arizona during 1998-99, I worked in the field of calculation of the optical properties of conjugated polymers. Ever since I became a faculty member in the Physics Department of I.I.T. Bombay, I have been active in various fields including the electronic structure of solids, polymers, clusters, and graphene, along with studying the properties of dilute trapped atomic gases. The methodology used for the purpose are computational, and several computer codes for the purpose have been developed in our group.

Recent Publications and Submissions

  1. "Computational Simulations and Strategies for Optimal Hydrogen Storage Materials Design,"  V. Mahamiya,  A. Shukla,  A. K. Adak, H. Lee,  N. Seriani, and R. Gebauer, submitted for publication (Dec 4, 2024)
  2. "Computational study of geometry, electronic structure, and low-lying excited states of linear T-graphene quantum dots," A. N. Bhat and A. Shukla, submitted for publication (July 2, 2024)
  3. "Three fold Spin valley intertwined Dirac cone in nonmagnetic Weyl Semimetal Pt3Sn2S2 with the Kagome lattice: A theoretical DFT perspective," R. Trivedi, S. Lakshmy, H. T. Nair, A. Shukla, and B. Chakraborty, submitted for publication (May 21, 2024); available on arxiv.org (arXiv: 2405.12254)
  4. "Improvement of Performance Efficiency of UV-Photodetector based on ZnO Coated with Ga2O3 Heterojunction," S. Pandey, A. Shukla, and A. Tripathi, submitted for publication (April 22, 2023)
  5. "Two-dimensional transition-metal dichalcogenide based bilayer heterojunctions for efficient solar cells and photocatalytic applications,"  K. Dange, R. Yogi, and A. Shukla, accepted for publication in Physical Review Applied (Dec 11, 2024)
  6. "Influence of strain and point defects on the electronic structure and related properties of (111) NiO epitaxial films," B. P. Sahu, P. Sharma, S. K. Yadav, A. Shukla, and S. Dhar,  J. Phys. D: Appl. Phys. 58, 085302 (2024) ; available on arxiv.org (arXiv: 2404.13007)
  7. "Defect Engineering in Two-Dimensional Pentagonal PdTe2: Tuning Electronic, Optical, and Magnetic Properties," P. Sharma, V. Roondhe, and A. Shukla, Phys. Rev B 110, 214108 (2024); available on arxiv.org (arXiv: 2411.06186)
  8. "Solving the Puzzle of Higher Photoluminescence Yield at the Edges of MoS2 Monolayers Grown by Chemical Vapor Deposition," F. Mujeeb,  V. Mahamiya, A.  Singh, M. Kothari, A. Chowdhury, A. Shukla, and S. Dhar, Appl. Phys. Lett. 125, 213103 (2024)
  9. "Characterization of the silicon carbide biphenylene network through G0W0-BSE calculations," A. Singh, V. Mahamiya, and A. Shukla, Phys. Rev. B 110, 195305 (2024); available on arxiv.org (arXiv: 2411.16520)
  10. "DFT and Model Hamiltonian Study of Optoelectronic Properties of Some Low-Symmetry Graphene Quantum Dots," S. Das and A. Shukla,  J. Phys. Chem A 128, 10099 (2024); available on arxiv.org (arXiv: 2402.19320)
  11. "Distinct contiguous versus separated triplet-pair multiexcitons in an intramolecular singlet fission chromophore," R. Chesler, P. Bhattacharyya, A. Shukla, and S. Mazumdar, Phys. Rev. B 110, L121104 (2024)); available on arxiv.org (arXiv: 2310.17818)
  12. "Enhanced hydrogen evolution reaction activity of nitrogen deficient hg-C3N4 quantum dot,"  K. Dange, V. Roondhe, and A. Shukla, Energy Fuels 38, 11852 (2024); (arXiv: 2408.03549)
  13. "Ultrahigh photo-responsivity and detectivity in two-dimensional bismuth sulphide photodetector for Vis-NIR radiation",Panwar, V.; Dey, M.; Sharma, P.; Karthick, S.; Nandi, S.; Tripathi, R.; Mondal, A.; Makineni, S. K.; Shukla, A.; Singh, A.; Misra, A.  Small 20, 2309428 (2024).
  14. "First-Principles Study of Penta-CN2 Quantum Dots for Efficient Hydrogen Evolution Reaction," R. Jindal, R. Yogi, and A. Shukla, Int. J. Hyd. Energy 63, 517 (2024); available on arxiv.org (arXiv: 2404.07793)
  15. "Tuning the electronic and optical properties of hg−C3N4 quantum dots with edge-functionalization: A computational perspective," K. Dange, V. Roondhe, and A. Shukla, J. Mat. Chem. C 12, 1354 (2024); available on arxiv.org (arXiv: 2312.15984)
  16. "Improving hydrogen evolution catalytic activity of 2D carbon allotrope biphenylene with B, N, P doping: Density functional theory investigations," M. Singh, A. Shukla, and B. Chakraborty, Int. J. Hyd. Energy 52, 569 (2024); available on arxiv.org (arXiv: 2310.00932)
  17. "Lithium decorated Ѱ-graphene as a potential hydrogen storage material: density functional theory investigations", J. Dewangan, V. Mahamiya, A. Shukla, and B. Chakraborty, Int. J. Hyd. Energy 48, 37908 (2023)
  18. "High Capacity Hydrogen Storage on Zirconium decorated γ-graphyne: A systematic first-principles study," M. Singh, A. Shukla, B. Chakraborty, Int. J. Hyd. Energy 48, 37834 (2023); available on arxiv.org (arXiv: 2312.16440)
  19. "Defect-driven Tunable Electronic and Optical Properties of Two-Dimensional Silicon Carbide," A. Singh, V. Mahamiya, and A. Shukla,   Phys. Rev. B 108, 235311 (2023); available on arxiv.org (arXiv: 2312.10991)
  20. "A first-principles study of the electronic, vibrational, and optical properties of planar SiC quantum dots," R. Jindal, V. Roondhe, and A. Shukla,  J. Phys. D: Appl. Phys.  57, 065103 (2023); available on arxiv.org (arXiv: 2311.11072)
  21. "Potential reversible hydrogen storage in Li-decorated carbon allotrope PAI-graphene: A first-principles study", V. Mahamiya, A. Shukla, and B. Chakraborty, Int. J. Hyd. Energy 48, 37898 (2023); available on arxiv.org (arXiv: 2312.01144)
  22. "Engineering the Electronic, Magnetic, and Optical properties of GaP Monolayer by Substitutional Doping: A first-principles study," K. Dange, R. Yogi, and A. Shukla, J. Phys. D: Appl. Phys. 56, 485102 (2023); available on arxiv.org (arXiv: 2309.13267)
  23. "Janus functionalized boron-nitride nanosystems as a potential application for absorber layer in solar cells," B. Roondhe, V.
    Roondhe, A. Shukla, S. Shukla, W. Luo, R. Ahuja, and S. Saxena, Adv. Electron. Mater. 9, 2300013 (2023)
  24. "Influence of native defects on the magneto-optoelectronic properties of α-MoO3," P. Sharma, V. Mishra, and A. Shukla, J. Phys. Condens. Mattter 35, 345501 (2023); available on arxiv.org (arXiv: 2306.04978)
  25. "On using non-Kekulé triangular graphene quantum dots for scavenging hazardous sulfur hexafluoride components," V. Roondhe, B. Roondhe, S. Saxena, R. Ahuja, and A. Shukla, Heliyon 9, e15388 (2023).; available on arxiv.org (arXiv:2304.12170)
  26. "Influence of Defects on the Valley Polarization Properties of Monolayer MoS2 Grown by Chemical Vapor Deposition," F. Mujeeb, P. Chakrabarti, V. Mahamiya, A. Shukla, and S. Dhar, Phys. Rev. B 107, 115429 (2023)
  27. An ab initio study of catechol sensing in pristine and transition metal decorated γ-graphene, J. Dewangan, V. Mahamiya, A. Shukla, and B. Chakraborty, Nanotechnology 34, 170001 (2023)
  28. "Improvement in the Performance and Efficiency on Self-Deficient CaTiO3: Towards Sustainable and Affordable New-Generation Solar Cells," S. Pandey, A. Shukla, and A. Tripathi, Materials Today Communications 35, 105575 (2023); available on arxiv.org (arXiv:2302.05679)
  29. "Room Temperature d0 Ferromagnetism in Carbon Doped LaH3 : Insights From Density Functional Theory Simulations," P. Sharma, A. Shukla, and B. Chakraborty, J. Phys. D: App. Phys. 56, 095001 (2023); available on arxiv.org (arXiv:2302.05625)
  30. "Highly Efficient Hydrogen Storage of Sc Decorated Biphenylene Monolayer near Ambient-temperature: Ab-initio Simulations", M. Singh, A. Shukla, and B. Chakraborty, Sustainable Energy & Fuels 7, 996 (2023); available on arxiv.org (arXiv:2303.02345)
  31. "Quantum interference effects elucidate triplet-pair formation dynamics in intramolecular singlet-fission molecules," K.R. Parenti, R. Chesler, G. He, P. Bhattacharyya, B. Xiao, H. Huang, D. Malinowski, J. Zhang, X. Yin, A. Shukla, S. Mazumdar, M. Y. Sfeir, L. M. Campos, Nat. Chem. 15, 339 (2023)
  32. "Highly Sensitive and Self Powered Ultraviolet Photo Detector based on ZnO nanorods coated with TiO2," S. Pandey, A. Shukla, and A. Tripathi, Sensors and Actuators: A. Physical 350, 114112 (2023); ; available on arxiv.org (arXiv:2301.00755)

Google scholar Profile

Researchgate Profile

ORCID Profile

Complete Publication List

Present Group Members

     Postdocs

  1. Dr. Mukesh Kumar Singh (Ph.D. IIT Bombay, 2024), Institute Postdoctoral Fellow, April 3, 2024 -- present
  2. Dr. Medha Rakshit (Ph.D. IIEST, Shibpur, 2024), Institute Postdoctoral Fellow, Oct 1, 2024 -- present
  3. Ms. Antara Vaidyanatha (PhD thesis submitted, Mumbai University, Sep 2024), Institute Postdoctoral Fellow, Oct 18, 2024 -- present
  4. Ms. Poonam Sharma (PhD thesis submitted, IIT Bombay, 28 Oct 2024), Institute Postdoctoral Fellow, Dec 13, 2024 -- present

    Ph.D. Students

  1. Ms. Juhee Dewangan, in collaboration with Brahmananda Chakraborty (BARC), since 2019. Topic: First-principles studies of hydrogen-storage materials.
  2. Ms. Arifa Nazir Bhat, Topics: Design of molecular qubits and applications of quantum computing in quantum chemistry, since July 2021.
  3. Ms. Khushboo Dange, Topic: First principles studies of the electronic structure and optical properties of novel reduced-dimensional materials, since July 2021.
  4. Ms. Arushi Singh, Topic: Computational studies of quantum emitters in bulk semiconductors, since Nov 2022.
  5. Ms. Samayita Das, Topic: Electronic structure calculations on optical materials, since Jan 2023.

Past Group Members

       Postdocs

  1. Dr. Priya Sony (Ph.D., IIT Bombay, 2006) Project Postdoc, Sep 2008 – Nov 2009. Presently Professor of Physics at Shiv Nadar University.
  2. Dr. Sridhar Sahu (Ph.D, IIT Bombay, 2010), Project Postdoc, Feb 2010 – June 2010. Presently, Associate Professor of Physics at IIT-ISM, Dhanbad.
  3. Dr. Rina Dutta (Ph.D. IIT Kharagpur, 2009), Project Postdoc, July 2010 – June 2011.
  4. Dr. Nabanita Saikia (Ph.D. Tezpur University, 2014), Institute Postdoctoral Fellow, Oct 2014 – Jan 2015.
  5. Dr. Tista Basak (Ph.D., Mumbai University, 2013), Institute Postdoctoral Fellow, July 1, 2013 – July 16, 2015. Presently, assistant professor of physics at Mukesh Patel Institute of Technology, Mumbai.
  6. Dr. Tushar Rana (Ph.D., LNMIT, 2018),  Aug 2016 - May 2018, at Bennett Universit.Presently, assistant professor at SRM University, Chennai.
  7. Dr. Naresh Alaal (Ph.D., IITB-Monash, 2017) Oct 2016 - Nov 2017, at Bennett University.
  8. Dr. Moumita Patra (Ph.D., ISI Kolkata, 2019) Institute Postdoctoral Fellow, July 1, 2019 -- April 30, 2020; presently postdoc at IACS, Kolkata
  9. Dr. Vikash Mishra (Ph.D., IIT Indore, 2019), Institute Postdoctoral Fellow, Feb 3, 2019 - Dec 19, 2021; presently assistant professor (physics) at Manipal Institute of Technology, Karnataka
  10. Dr. Vikram Mahamiya (Ph.D. IIT Bombay, 2022), Institute Postdoctoral Fellow, Sep 9, 2022 -- May 30, 2023; presently postdoc at ICTP, Trieste
  11. Dr. Vaishali Sharma (Ph.D., M.S. University Baroda, 2021), Institute Postdoctoral Fellow, June 16, 2021 -- June 15, 2023.
  12. Dr. Shivprasad Shastri (Ph.D., IIT Mandi, 2022), Institute Postdoctoral Fellow, Feb 28, 2022 -- Dec 19, 2023
  13. Dr. Akanksha Dubey (Ph.D., I.I.T. Patna, 2021), Institute Postdoctoral Fellow (short-term visitor), Jan 11, 2024 -- March 20, 2024; presently postdoc at CNRS/Sorbonne University (Paris)
  14. Dr. Archana Sharma (Ph.D., Jamia Millia Islamia, 2021), Institute Postdoctoral Fellow, May 1, 2022 -- July 3, 2024
  15. Dr. Kashinath T. Chavan (Ph.D., HBNI, IGCAR, Kalpakkam, 2023), Institute Postdoctoral Fellow, Nov 6, 2023 -- July 1, 2024. Currently, a postdoc in Central Michigan University, USA.
  16. Dr. Rachana Yogi (Ph.D., IIITDM Jabalpur, 2021), Institute Postdoctoral Fellow, Aug 31, 2021 -- Aug 30, 2024
  17. Dr. Rupali Jindal, Institute Postdoctoral Fellow, May 7, 2024 -- Oct 3, 2024. Currently a postdoc in Sumit Mazumdar's group in the University of Arizona

    Ph.D. Students

  1. Dr. Priya Johari nee Sony, Ph. D. (July, 2006), on first principles Wannier function based calculations of dielectric response properties of solids. Furthermore, optical properties of various conjugated polymers were computed using the PPP model. Presently, Professor, Department of Physics, Shiv Nadar University, Greater Noida, India.
  2. Dr. Sridhar Sahu, Ph. D. (May, 2010). His main work consisted of developing a CINDO/INDO model based electronic structure code written in Fortran 90 language. Presently faculty member, Department of Applied Physics, IIT-ISM Dhanbad.
  3. Dr. G. Kondayya, Ph. D. (May, 2012). His work involved developing a PPP model based approach to study the electronic structure and optical properties of graphene nanoribbons. Present Affiliation: Scientist G, BARC, Mumbai.
  4. Dr. Ravindra Laxman Shinde (June 2014): His work dealt with the electronic structure and optical properties of clusters using first-principles configuration-interaction methodology. Present affiliation: Faculty of Science and Technology, University of Twente, Netherlands.
  5. Dr. (Ms.) Himanshu Chakraborty,  defended thesis titled "Electronic Structure and Optical Properties of pi-conjugated Systems: Oligoacenes and Trigonal Zigzag Graphene Nanodisks", on Nov 26, 2015. After doing a three-year postdoctoral stint in Temple University, USA, she joined the Mithibai College, Mumbai as a lecturer. At present she is self-employed.
  6. Dr. Naresh Alaal, defended Ph.D. thesis titled "Electronic and optical properties of silicon carbide and boron-nitrogen-carbon nanoribbons: A first-principles study" on March 1, 2017. He worked as a postdoc in my group during Oct 2016 - Nov 2017. From Jan 7, 2018, he has begun his second postdoctoral stint in KAUST, Saudi Arabia.
  7. Dr. Deepak Kumar Rai, defended his  Ph.D. thesis titled "Electronic Structure and Optical Properties of Graphene and Graphyne Based Finite Systems," on April 29, 2019.  During Aug 23, 2019 - July 22, 2020 he was a postdoc in the Department of Chemistry in Southern University of Science and Technology (SUSTech), in Shenzhen, China. Next,  he did a postdoc in the Department of Physics, I.I.T. Madras, Chennai from Feb 2021 - June 2022. After a stint in Chandigarh University, Deepak joined Jaypee University of Engineering and Technology, Guna (MP), on Aug 31, 2024.
  8. Dr. Pradip Kumar Priya, defended his Ph.D. thesis titled "First-principles Calculations of Electronic Structure and Optical Properties of Small Metallic Clusters," on June 14, 2019. He is continuing as a faculty member in Physics Department of Ewing Christian College, Prayagraj (Allahabad).
  9. Dr. Pritam Bhattacharyya defended his Ph.D. thesis titled "Theory of Electronic Structure and Optical Properties of Low-Dimensional Systems,"  on June 29, 2020. On Feb 1, 2021, he joined as a postdoc in IFW Dresden, Germany.
  10. Dr. Vikram Mahamiya, in collaboration with Brahmananda Chakraborty (BARC). Vikram defended his thesis titled "Theory of Electronic Structure, Optical and Hydrogen Storage Properties of Clusters and 2D-Nanomaterials," on Oct 11, 2022. Presently postdoc in ICTP, Trieste.
  11. Dr. (Ms.) Shashi Pandey, Department of Electrical Engineering, Institute of Engineering and Technology, AKTU Lucknow, defended her thesis titled "Electrical characterization and simulation of transition metal oxide based highly sensitive solar cells" on Aug 5, 2024. I co-supervised her thesis. 
  12. Dr. Mukesh Kumar Singh, co-supervised by Brahmananda Chakraborty (BARC), defended his Ph.D. thesis titled "Structural and Electronic Properties of 2D Materials and their Applications in Hydrogen Production and Hydrogen Storage: First Principles Study", on April 29, 2024. Presently, institute postdoc at IIT Bombay.
  13. Dr. (Ms.) Rupali Jindal defended her Ph.D. thesis titled "A first-principles density-functional theory study of electronic, optical, catalytic, and sensing properties of quantum dots",  on July 19, 2024. After continuing as a postdoc in my group for five months, she has joined Sumit Mazumdar's group in the University of Arizona as a postdoc since Oct 2024.
  14. Ms. Poonam Sharma submitted her PhD thesis titled "A First-Principles Investigation of Defect-Induced Electronic, Magnetic, and Optical Properties in 2D and Bulk Semiconductors," on Oct 28, 2024. She is currently continuing in my group as an Institute Postdoctoral Fellow.

M. Tech. Supervision

  1. G. Sreekar (2009-10): Theory of electronic structure and optical properties of graphene
  2. Deepak Kurian (2010-11): Developing a computer program implementing Harrison's tight-binding approach for periodic systems
  3. Vaideesh Loganathan (2011-12): Electronic structure and optical properties of SiC nanoribbons and doped GaN.
  4. Rupesh Chaudhari (2014-2015): Electronic structure of phosphorene and related materials
  5. Anshu Kumar (2015-2016): Electronic structure and optical properties of graphene nanostructures
  6. Amal Vats (2018-2019): On matrix-product ansatz based renormalization group calculations on molecules.
  7. Saurabh J. Kasodariya (2019-20, Mechanical Engineering): Machine Learning for Material Discovery and Design, jointly with Prof. Alankar, Dept. of Mech. Eng.

Externally Funded Research Projects

  1. Wave-function-based ab initio many-body theory of crystalline insulators: Evaluation of properties, funded by DST, India (2002-2006), Rs. 951,000.
  2. Theoretical studies of optical properties and electronic structure of polymers, funded by DST, India (2008-2011), Rs. 2.29 million.
  3. Partner in joint R&D network and research center “Theoretical Studies of the Correlated Electronic Structure of Graphene” supported by Indo-US Science and Technology Forum (IUSSTF) for the period 2013-2015.
  4. Theoretical studies of electronic structure and optical properties of graphene and its nanostructures: approved for funding by DST (March 27, 2014) for a period of three years. Budget Rs. 50 lacs.
  5. Equipment Grant by Nvidia Corporation (Dec 2015): Tesla K40 GPU card.

Awards and Recognition

  1. Merit-cum-Means Scholarship from I.I.T. Kanpur during M.Sc., 1982-84,
  2. Graduate Research Fellowship from the College of Science, Utah State University, Logan, Utah, USA, for Ph.D. work, 1990-1991.
  3. My work on phenyl-substituted polyacetylenes, done in collaboration with Sumit Mazumdar (Phys. Rev. Lett. 83, 3944 (1999)) was featured in the 19 Nov, 1999 issue of the weakly newsletter of OPTICS.ORG, “Photonics Resources for Scientists and Engineers” (published by SPIE and the Institute of Physics), in an article entitled “Theory gives hope for infrared polymer lasers”.
  4. I have been a referee for Physical Review B and Physical Review Letters since 1999. Additionally, I have refereed papers for other journals such as Theoretical Chemistry Accounts, Journal of Computational Physics, Physica E, ACS Nano, Computational Material Science, AIP Advances, Journal of Physical Chemistry, Nature Chemistry, and several other journals.
  5. Excellence in Teaching Award, Department of Physics, I.I.T. Bombay, for the academic year 2023-24 on Sep 5, 2024.

Invited Talks

  1. “Obtaining Wannier functions of a Crystalline insulator within a Hartree-Fock approach,” CECAM workshop on Excited Electrons in Molecules, Solids and Atoms, CECAM, Lyon, France, Sept 9, 1997.
  2. “Wave-function-based ab initio methods for electronic structure calculations on insulators,” in the session “New perspectives in the theory and computation of electronic structure of solids” of Sagamore XIV – Meeting on Charge, Spin, and Momentum densities, Broome, Australia (Aug 15, 2003).
  3. “Theory of optical properties of polyphenyl polyacetylenes”, Optical Probes 2005, Bangalore, India (Jan 2005).
  4. “Theory of electro-optical properties of graphene nanoribbons”, Current Trends in Condensed Matter Physics, organized in NISER, Bhubaneswar, India (Dec 2010).
  5. “A Pariser-Parr-Pople model Hamiltonian based approach to the electronic structure and optical properties of graphene nanostructures,” ACCMS - Theme Meeting on 2D Nanostructures: Graphene and Beyond, organized in Materials Research Center, IISc Bangalore (July 29-30, 2012).
  6. “Multi-Reference Configuration Interaction Approach and Its Applications to the Optical Absorption Spectra of Clusters and Polymers”, Workshop on Numerical Many Body Methods in Quantum Chemistry and Physics, (Dec 2– 7, 2013) Orange County Resorts, Coorg, Karnataka and organized by IISc Bangalore.
  7. “Theory of Electronic Structure and Optical Properties of Graphene Nanodisks,” India-UK Scientific Seminar , From Graphene Analogues to Topological Insulators, (January 27-29, 2014), Vedic Village, Kolkata, organized by Indian Association for the Cultivation of Science.
  8. “Theory of Electronic Structure and Optical Properties of Graphene Quantum Dots,”  CTCMP 2015: A Cluster of Topical Meetings on Current Trends in Condensed Matter Physics, February 19-22, 2015, Bhubaneswar, India.
  9. "Theory of Electronic, Optical, and Magnetic Properties of Graphene Nanodisks", Collaborative Conference on 3D and Materials Research (CC3DMR) 2016, June 20 - 24, 2016, Incheon/Seoul, South Korea.
  10. "Theory of Electronic, Optical, and Magnetic Properties of Graphene Quantum Dots", OSI-12: International Conference on Optics of Surfaces and Interfaces, June 25 - 30, 2017, Department of Physics, Trinity College, Dublin, Ireland.
  11. "Theory of Electronic Structure and Optical Properties of Graphene Quantum Dots", Aug 21, 2020, in the conference Nano-Electro-Mechanical System NEMS Technologies: Modern Interdisciplinary Approach in Engineering (NEMS-Tech2020), Aug 17-21, 2020, at N.I.T. Silchar (online mode)
  12. "A Pariser-Parr-Pople Model based approach for the electronic structure and optical properties of graphene-like structures", in "A Physics Refresher Course with Special Focus on Material Science and Biophysics Under TEQIP-III  (Feb 8-20, 2021)", Venue: IIT (ISM) Dhanbad (online mode, Feb 12, 2021).
  13. "Theory of electronic and optical properties of pristine and defective graphene quantum dots", Aug 18, 2021, in Symposium 2: Fabrication of Low dimensional, Nano and 2D materials (FLNM) of AAAFM-UCLA-2021, UCLA (International conference conducted in online mode).
  14. "A Quantum Mechanical Theory of Electronic Structure and Optical Properties of Graphene Quantum Dots," in Online Faculty Development Program (FDP) on Next-Generation Nanoelectronics Devices Trends (NGND): Materials to Applications, organized by the Electronics & Communication Engineering Department, NIT Patna under the aegis of E& ICT Academy, NIT Patna (Feb 3, 2022).

    • Research Visits

    1. Max-Planck Institute, Dresden, Germany, May — July 2001
    2. Max-Planck Institute, Dresden, Germany, Dec 2006.
    3. Physics Department, University of Arizona, Tucson, Az, USA, Feb – Aug 2007 (on sabbatical leave from IIT Bombay)
    4. Max-Planck Institute, Dresden, Germany, Sep — Dec 2007 (on sabbatical leave from IIT Bombay).
    5. Physics Department, University of Arizona, Tucson, Az, USA, June 15 – July 6, 2011
    6. Physics Department, University of Arizona, Tucson, Az, USA, May 23 – June 7, 2014, under Indo-US grant on graphene.
    7. Physics Department, University of Arizona, Tucson, Az, USA, Dec 3 – Dec 15, 2015, under Indo-US grant on graphene.

    Expert in Selection Committees

    1. I.I.T. Bhubaneswar
    2. I.I.T. Roorkee
    3. NIT Calicut
    4. I.I.T. Dharwar
    5. Rajiv Gandhi Institute of Petroleum Technology, Amethi

    Conference/Workshop Organization

    1. Co-organized Indo-US Science and Technology Forum (IUSSTF) workhop “The physics and chemistry of graphene and other single and bilayer materials including MoS 2 and phosphorene” (Dec 22-24, 2014), in IISc Bangalore.
    2. Member of International Organizing Committee of the yearly conference series Collaborative Conference on Materials Research (CCMR), organized in Korea (since 2017).
      LyX Document

    Community Service

    1. Member, Board of Studies, Department of Physics, Mithibai College, Mumbai University (2018-24)
    2. Member, Board of Studies, Department of Physics, BITS, Mesra (since 2023)