Journal Editorialship :
- May,2025: Associate Editor, Graphene & 2D Materials(Springer Nature)
- Nov,2023: Editorial Board Member of J.Phys.Chem. A/B/C(ACS)
- Aug,2023: Editorial Board Member, Electronic Structure (IOP)
- Feb,2023: Editorial Board Member, Energy Advances (RSC)
- Aug,2022: Editorial Board Member, Chem.Inorg.Materials(Elsevier)
- Aug,2022: Editorial Board Member, Graphene & 2D Materials(Springer)
Reviewer in International Funding Agencies :
- U.S. Department of Energy (DOE-EPSCoR)
- European Research Council (ERC) Advanced Grant
- Italian Ministry of Education, Universities and Research (MIUR)
- Belgium Funds for Scientific Research, Belgium (FNRS)
- Polish National Science Centre Funding, Poland (NCN)
- QNRF - National Priorities Research Program (NPRP)
Invited Talks (67) :
- Department of Chemistry, Cambridge University, 2nd July 2013.
- IWCCMP-2013, 27th September 2013(Online)
- FIWAMEA -2014, Mekens, 8th May 2014.
- Angstrom Mini-Symposium, Uppsala University, Sweden, 26th May 2015.
- Materials Science & Engineering, NTU, Singapore, 4th August 2015.
- Energy Research Institute @ NTU (ERIAN), Singapore, 20th August 2015.
- IWCCMP-2015, 19th October 2015(Online)
- Tan Chin Tuan Award Lecture, MSE, NTU, Singapore, 18th July, 2016
- Energy Research Institute, NTU (ERIAN), Singapore, 22nd July, 2016
- Symposium U (Halide Perovskites), ICMAT, MRS-Singapore, 22nd June, 2017
- Uppsala-Dalian Symposium Talk, Sweden, 29th November, 2018
- Materials Research Society of India (MRSI), Kolkata,India February 11-14, 2020
- Materials Simulation: A Virtual Guided Tour, PAN-IIT , May 21 -31, 2020(Online)
- International Webinar: Modern Aspects of Physics, MRC, August 13, 2020(Online)
- Lecture in Faculty Development Program, MAKAUT, India, 16th Sep, 2020(Online)
- International Webinar: RSCNN, HIT, India, 27th September, 2020(Online)
- International Conference on Perovskites (nanoGe), 19th - 20th November, 2020(Online)
- International Rhine Round Table (MRS Chapter Cologne) 4th December, 2020(Online)
- Materials Research Society of India (MRSI), India, Dec 20-23, 2021(Online)
- Representing HRI CMP Research in HBNI-im-CMP, SINP, Kollkata, India, 23-24th June, 2022
- QMAT-2022(Quantum Condensed Matter), IIT Kanpur, India, 18th-22nd September, 2022
- Resource Person for Refresher Course, University of Hyderabad, 22nd October, 2022(Online)
- YIMQCMT-2022, NISER, Bhubaneswar, India, 29th October - 1st November, 2022
- Research Institute for Sustainable Energy (RISE), TCG-CREST, Kolkata, India 1st December, 2022
- Designing Catalysts on Computer(DCC - 2022), IACS, Kolkata, India, 2nd-3rd December, 2022
- International Workshop on Materials Under Extreme Conditions, CTFM, IIT Madras, India, 5th-6th December, 2022
- International School of CMSMEE, JNCASR Bangalore, India, 12th-14th December, 2022
- DAE-SSPS Conference-2022, India, 18th -22nd December, 2022
- Indo-German Joint International Conference (PDC-IT), IIT Madras, India, 8th-11th March, 2023
- Indo-German Joint International Conference (DEEPT-23), SRM University, India, 12th-15th March, 2023
- Advances in Photovoltaic Materials and Devices (APMD 23), June 2-4, 2023(Online)
- University of Tokyo (Host: Prof. Tsutomu Miyasaka), Japan, 3rd July, 2023
- Emerging Materials, IISER Pune, India, July 13-15, 2023
- Psi-K Namma Conference, JNCASR and IISc, Bangalore, India, July 24-28, 2023
- National Conference on Electronic Structure by IOP/TIFR, India, November 15-17,2023
- Cambridge University, Chemistry(Host: Prof. David Wales),U.K. December 12,2023
- UCL, Chemistry Department (Host: Prof. Richard Catlow), U.K. December 13, 2023
- UK Catalysis Hub Conference, Oxfordshire, U.K., December, 18 -19, 2023
- GICAN Distinguished Colloquium, Newcastle, Australia, 25th January, 2024
- iSNIOE2 – 2024, Shiv Nadar Institute, Delhi NCR, March 20 - 23, 2024
- Department Colloquium, Chemistry, IIT Madras, India 1st May, 2024
- Department Colloquium, Physics, IIT Bombay, India, 25th June, 2024
- NSF Colloquium, TIFR Mumbai, India, 26th June, 2024
- Periodic Colloquium, Chemistry Division, BARC Mumbai, India, 28th June, 2024
- Department Colloquium, Physics, University of Pune, India, 2nd July, 2024
- Department Colloquium, Physics, IISER Pune, India, 3rd July, 2024
- DFT-60 International Conference, IIT Mandi, India, 24th-26th July, 2024
- ICOPP-2024, Physics, IIT Bombay, India, 14th – 16th October, 2024
- Purdue University, MSE, (Host: Prof. Babak Anasori), 25th November, 2024
- MRS Fall Meeting, 2024, Boston, Massachusetts, U.S.A., 1st-6th December, 2024
- CSI Seminar, Princeton Univ. (Host: Prof. Annabella Selloni), USA, 9th Dec, 2024
- CACEE-2024, TIFR Mumbai, India, 16th – 20th December, 2024
- QMAT-2024, IIT Guwahati, India, 20th – 23rd December, 2024
- EESTER-2025, IIT Madras, India, January 8 - 11, 2025
- International School on Modelling and Simulations of Materials, JNCASR, Bangalore, India, January 20 – 22, 2025
- NWMC-2025, Bhabha Atomic Research Centre, India, November 20 - 22, 2025
- CEBS Colloquium, 2025, Centre of Excellence for Basic Sciences(CEBS), Mumbai, November 25, 2025
- TCS-2025, IIT Bombay, Mumbai, December 2 - 5, 2025
- Institute Colloquium, Institute of Physics (IOP) Bhubaneswar, 15th December, 2025
- MRSI-2025, NISER, Bhubaneswar, December 17 – 20, 2025
- Frontiers Symposium in Physics,IISER Thiruvananthapuram,January 23 –25, 2026
- NaMoSBio – 2026, IISER Kolkata, India, January 23 - 26, 2026
- Keynote Speaker, GCRC-26, Visakhapatnam, February 12 – 14, 2026
- Invited Talk, TIFR Hyderabad, Hyderabad, India, 17th February, 2026
- ICMG-IV, SRM University, A.P. February, 19 – 21, 2026
- ETPP International Conference, IISER Mohali, India, March 12 – 14, 2026
- ICOPP-2026, IIT Bombay & ICTP Italy, March 26 – 28, 2026
Conference/Symposium Organizer & Chairperson :
- EUROMAT, 2013, Sevilla, Spain: Symposium D3-IV: Materials Modeling for Energy Applications
- EMRS - Fall Meeting, 2014, Warsaw, Poland: Symposium A: Oxide materials for energy harvesting
- ICCP-9, NUS, Singapore, 2014: Symposium C6: Advanced Materials Modeling for Energy Applications
- EMRS - Fall Meeting, 2015, Warsaw, Poland: Symposium A: Materials for Energy Storage and Conversion
- EMRS - Fall Meeting, 2016, Warsaw, Poland: Symposium L: Carbon and Materials for Energy Application
- International Conference on Advances in Renewable Energy (CARE-23), organized by HRI and TIFR Hyderabad, February 2-4, 2023.
- International School on Computational Materials, JNCASR, Bangalore, January 20-22, 2025.
Journal Reviewership :
Nature Journals:
- Nature, Nature Communications
ACS Journals:
- JACS, Nano Letters, ACS Energy Letters, ACS Nano, Chemistry of Materials, ACS Applied Materials Interfaces, ACS Applied Energy Materials, J.Phys.Chem. Letters, J.Phys.Chem.C
Wiley Journals:
- Angewandte Chemie, Advanced Materials, Advanced Energy Materials, Advanced Functional Materials
RSC Journals:
- J.Mater.Chem. A, Nanoscale, ChemComm, PhysChemChemPhys (PCCP)