🔬 2026

• Atomistic Simulation of Side-Chain Architecture and Head-Group Chemistry in Tailored Perfluorinated Anion Exchange Membranes
  P. Sharma, A. P. Sunda*
  ACS Appl. Polym. Mater., 2026, x, xx-xx. [https://doi.org/10.1021/acsapm.6c02174]
   
• Atomistic Simulations of Betaine-based Ionic Liquids Composite with Nafion Polymer Membranes
  S. Yadav and A. P. Sunda* 
  Macromol. Theory Simul., 2026, x, xx-xx [Just Accepted] 
   
• Insights into Structural Organization and Dynamics of Betaine-Based Ionic Liquids from Molecular Dynamics Simulations 
  S. Yadav and A. P. Sunda*
  Discover Chemistry, 2026, 3, 211 [10.1007/s44371-026-00655-z] 
   
• Transformative Progress in Anion Exchange Membranes for Fuel Cell Technology 
  P. Sharma and A. P. Sunda*
  Energy Adv., 2026, 5, 610-631. [https://doi.org/10.1039/D6YA00028B]
  Review Article: Featured Inside Front Cover - Energy Advances Recent HOT Articles
   
• Atomistic insights into structure–morphology relationships in hydrated poly(benzimidazolium) and poly(bis-arylimidazolium) ionene membranes
  S. Dagar and A. P. Sunda* 
  Mol. Syst. Des. Eng., 2026, 11, 255-268 [https://doi.org/10.1039/D5ME00224A]
   
• Molecular analysis of vibrational and structural characteristics in bi-thiazole derivatives
  S. Dagar, V. Chaudhri, S. Yadav, R. Pundeer, A. P. Sunda*
  Discover Chemistry, 2026, 3, 1, 1. [DOI: 10.1007/s44371-025-00451-1]
   
• Effect of Anions in Zn‐Based Aqueous Electrolyte on Electrochemical Performance of Prussian Blue Analogue
  A. Sethi, C. Rajeev, Anil K. U., P. Sharma, A. P. Sunda*, V. M. Dhavale*
  Batteries & Supercaps, 2026, 9 (2), e202500488. [https://doi.org/10.1002/batt.202500488]

🔬 2025

• Heteroatom-rich activated carbon nanofibre cathode in aqueous acetate-based electrolyte enables enhanced performance of Zn-ion hybrid supercapacitors
  H. Gupta, S. Dagar, M. Hariram, R. Dev, P. Sharma, M. Kumar, A. P. Sunda*, S. Sarkar*
  J. Energy Storage, 2025, 137, 118681.
   
• Nano Hexagon NiCeO2 for Al–Air Batteries: A Combined Experimental and Density Functional Theory Study of Oxygen Reduction Reaction Activity
  ST Dharmalingam, P Sharma, A. P. Sunda, M Minakshi, 
  ChemElectroChem, 2025, 12 (21), e202500274
   
• Micelle‐Assisted Electrodeposition of γ‐MnO2 on Lead Anodes: Structural and Electrochemical Insights
  M. Minakshi, R. Aughterson, P. Sharma, A. P. Sunda, K. Ariga, L. K. Shrestha
  ChemNanoMat, 2025, 11 (10), e202500270.
   
• Front Cover: Molecular Dynamics Simulations of Betaine‐Based Ionic Liquids: A Comparative Study of Scaled Versus Full Charge Model (ChemPhysChem 15/2025)
  S. Yadav, A. P. Sunda*
  ChemPhysChem, 2025, 26 (15), e70060. 
   
• Molecular Dynamics Simulations of Betaine‐Based Ionic Liquids: A Comparative Study of Scaled Versus Full Charge Model
  S Yadav, A. P. Sunda*
  ChemPhysChem, 26 (15), e202500139.
   
• The Future Membrane Technology: Perspectives of Advanced Membrane Applications
  A. P. Sunda*
  J. C. Bose Journal of Engineering, Technology and Sciences, 2025, 1 (1), 1-14.
   
• Molecular Insights of Hydrated Perfluoro Quaternary Ammonium Anion-Exchange Membranes: Ionomer Structure and Hydroxide Ion Transport
  P Sharma, A. P. Sunda*
  ACS Appl. Polym. Mater. 2025, 7 (3), 1886–1895.
   
• Tailoring ionic liquid properties via amino acid anions: structural influence of isoleucine, methionine, and serine anions
  S. Yadav, A. P. Sunda*
  Phys. Chem. Chem. Phys., 2025, 27 (35), 18586-18594.
   
• Molecular Insights into Binary Ionic Melts of Protic Ionic Liquid 1, 2, 4-Triazolium Methanesulfonate and Methanesulfonic Acid Electrolytes
  S. Dagar, S. Liu, J. Luo, A. P. Sunda*
  J. Phys. Chem. B, 2025, 129 (1), 338-347.

🔬 2024

• Hydroxide Ion Conduction through Viologen-Based Covalent Organic Frameworks (vCOFs)
  P. Jhariat, Anil K. U, A. Warrier, A. P. Sunda, S. Das, S. Sarfudeen, V. M. Dhavale, T. Panda 
  ACS Applied Materials & Interfaces, 2024, 16 (18), 23387-23395.
   
• Assessing the impact of an antisolvent-regulated ZnCl2 water-in-salt electrolyte on solvation structure: a multiscale computational validation for aqueous Zn-ion battery
  A. Sethi, C. Rajeev, A. Kumar, P. Sharma, A. P. Sunda*, V. M. Dhavale*
  J. Mater. Chem. A, 2024, 12 (34), 23049-23058.

🔬 2023

• Molecular Insights into Cu/Zn Metal Response to the Amyloid β-Peptide (1–42)
  A. P. Sunda*, A. K. Sharma*
  ACS Physical Chemistry Au, 2023, 4 (1), 57-66.
• Atomistic Simulations of Hydrated Sulfonated Polybenzophenone Block Copolymer Membranes
  A. P. Sunda*, S. Singh, S. Yadav, R. K. Singh*
  ChemPhysChem, 2023, e202300104

🔬 2018

• Molecular Dynamics Simulations of Ammonium/Phosphonium-based Protic Ionic Liquids: Influence of Alkyl to Aryl Group
  A. Mondal*, A. P. Sunda*
  Phys. Chem. Chem. Phys., 2018, 20, 19268-19275.
   
• Nanoscale Defolding Influence of Polypeptide in Charge-Transfer Process through Organic-Inorganic Nano Hybrid System
  P. Roy, N. Kantor-Uriel, A. P. Sunda*
  Nanoscale, 2018, 10 (23), 11143-11149

🔬 2016

• Thermal Phase Behavior and Ion Hopping in 1,2,4-Triazolium Perfluorobutanesulfonate Protic Organic Ionic Plastic Crystal
  A. Mondal, A. P. Sunda, S. Balasubramanian
  Phys. Chem. Chem. Phys., 2016, 18, 2047-2053.

🔬 2015

• Ammonium-Based Protic Ionic Liquid Doped Nafion Membrane as Anhydrous Fuel Cell Electrolyte
  A. P. Sunda*
  J. Materials Chemistry A, 2015, 3 (24), 12905-12912
   
• Atomistic Simulations of Ammonium-based Protic Ionic Liquids: Steric Effects on Structure, Low Frequency Vibrational Modes and Electrical Conductivity
  A. P. Sunda*, A. Mondal, S. Balasubramanian*
  Phys. Chem. Chem. Phys., 2015, 17 (6), 4625-4633

📘 Book Chapters

• Advances in Electrolyte Materials for Batteries: Status, Challenges and Outlook
  M. Bhatia, P. Sharma, A. P. Sunda*
  DOI: 10.1021/bk-2024-1477.ch009
   
• Environmental Applications of Metal–Organic Frameworks
  A. P. Sunda* and S. Yadav
  DOI: 10.1021/bk-2021-1395.ch002