25. Combining Molecular Fragmentation and Machine Learning for Accurate Prediction of Adiabatic Ionization Potentials, Debashis Swain, Sarah Maier, Surya Sekhar Manna, Krishnan Raghavachari, Pure and Applied Chemistry, 2025, 97, 11, 1699–1709.
24. Utilizing Machine Learning to Advance Battery Materials Designing: Challenges and Prospects, Souvik Manna, Poulami Paul, Surya Sekhar Manna, Sandeep Das and Biswarup Pathak, Chem. Mater., 2025, 37, 5, 1759–1787.
23. Machine Learning Driven Ionic Liquids as Electrolytes for the Advancement of High-Voltage Dual-Ion Battery, Surya Sekhar Manna and Biswarup Pathak, Chem. Mater., 2024, 36, 7, 3191–3204.
22. Integration of Density Functional Theory and Machine Learning for Electrolyte Optimization in High-Voltage Dual-Ion Battery Design, Poulami Paul, Sandeep Das, Souvik Manna, Surya Sekhar Manna and Biswarup Pathak, ACS Appl. Mater. Interfaces 2024, 16, 33, 43591–43601.
21. Integrated Supervised and Unsupervised Machine Learning Approach to Map the Electrochemical Windows Over 4500 Solvents for Battery Applications, Souvik Manna, Surya Sekhar Manna and Biswarup Pathak, ACS Appl. Mater. Interfaces 2024, 16, 32, 42138–42152.
20. Unlocking the efficiency of nonaqueous Li–air batteries through the synergistic effect of dual metal site catalysts: an interpretable machine learning approach, Nishchal Bharadwaj, Surya Sekhar Manna, Milan Kumar Jena, Diptendu Roy, Biswarup Pathak, J. Mater. Chem. A, 2024, 12, 15115-15126.
19. Understanding moisture stability and degradation mechanisms of 2D hybrid perovskites: insights from ab initio molecular dynamics simulations, Eti Mahal, Surya Sekhar Manna, Sandeep Das, Biswarup Pathak, Energy Adv., 2024, 3, 1992-2001.
18. A thiolated copper-hydride nanocluster with chloride bridging as a catalyst for carbonylative C–N coupling of aryl amines under mild conditions: a combined experimental and theoretical study, Anish Kumar Das, Sourav Biswas, Amit Pal, Surya Sekhar Manna, Avirup Sardar, Pradip Kumar Mondal, Basudev Sahoo, Biswarup Pathak, Sukhendu Mandal, Nanoscale, 2024, 16, 3583-3590.
17. Molecular Dynamics-Machine Learning Approaches for the Accurate Predictions of Electrochemical Windows of Ionic Liquids Electrolytes for Dual-Ion Batteries, Surya Sekhar Manna, Souvik Manna and Biswarup Pathak, J. Mater. Chem. A, 2023, 11, 21702-21712.
16. Screening of Ionic Liquid Based Electrolytes for Al-Dual Ion Batteries: Thermodynamic Cycle and Combined MD-DFT Approaches, Surya Sekhar Manna and Biswarup Pathak, J. Phys. Chem. C, 2023, 127, 19, 8913–8924.
15. Metal-solvent interaction contribution on voltage for metal ion battery: An interpretable machine learning approach, Souvik Manna, Surya Sekhar Manna, Sandeep Das and Biswarup Pathak, Electrochimica Acta, 2023, 467, 143148.
14. Machine Learning Driven Prediction of Band Alignment Types in 2D Hybrid Perovskites, Eti Mahal, Diptendu Roy, Surya Sekhar Manna and Biswarup Pathak. J. Mater. Chem. A, 2023, 11, 23547-23555.
13. Deciphering DNA Nucleotide Sequence and their Rotation Dynamics with Interpretable Machine Learning Integrated C3N Nanopore, Milan Kumar Jena, Sneha Mittal, Surya Sekhar Manna and Biswarup Pathak, Nanoscale, 2023, 15, 18080-18092.
12. Recent Advancements in Devising Computational Strategies for Dual-Ion Batteries, Sandeep Das, Surya Sekhar Manna and Biswarup Pathak, ChemSusChem 2023, 16, e202201405. (Review)
11. Luminescent [CO2@Ag20(SAdm)10(CF3COO)10(DMA)2] Nanocluster: Synthetic Strategy and Its Implication Towards White-Light Emission, Sourav Biswas, Anish Kumar Das, Avirup Sardar, Surya Sekhar Manna, Pradip Kumar Mondal, Maurizio Polentarutti, Biswarup Pathak, Sukhendu Mandal, Nanoscale, 2023, 15, 8377-8386.
10. Design of 2D porphyrin frameworks for efficient visible light-promoted reduction of CO2 from dilute gas: combined experimental and theoretical investigation, Rajesh Das, Rajesh Belgamwar, Surya Sekhar Manna, Biswarup Pathak, Vivek Polshettiwar and C. M. Nagaraja, J. Colloid Interface Sci., 2023, 652, 480–489.
9. Pyrrolidinium-Based Organic Cation (BMP)-Intercalated Organic (Coronene) Anode for High-Voltage Dual-Ion Batteries: A Comparative Study with Graphite, Surya Sekhar Manna and Biswarup Pathak, J. Phys. Chem. C, 2022, 126, 22, 9264–9274. (Front Cover Page Article).
8. Atomically Precise Silver Nanocluster for Artificial Light-Harvesting System Through Supramolecular Functionalization, Anish Kumar Das, Sourav Biswas, Surya Sekhar Manna, Biswarup Pathak, Sukhendu Mandal, Chem. Sci., 2022, 13, 8355-8364.
7. Role of Additives in Solid Electrolyte Interphase Formation in Al anode Dual-Ion Battery, Sandeep Das, Surya Sekhar Manna and Biswarup Pathak, ACS Applied Energy Mater., 2022, 5, 11, 13398–13409. (Front Cover Page Article)
6. Strategic Design of Mg-Centered Porphyrin MOF for Efficient Visible Light-Promoted Fixation of CO2 at Ambient Conditions: Combined Experimental and Theoretical Investigation, Rajesh Das, Surya Sekhar Manna, Biswarup Pathak, C. M. Nagaraja, ACS Applied Mater. Interfaces, 2022, 14, 29, 33285–33296.
5. Template-assisted alloying of atom-precise silver nanoclusters: a new approach to generate cluster functionality, Sourav Biswas, Anish Kumar Das, Surya Sekhar Manna, Biswarup Pathak and Sukhendu Mandal, Chem. Sci., 2022, 13, 11394-11404.
4. Organic Cation (DMPI) Intercalated Graphite Anode for High Voltage Next Generation Dual-Ion Battery, Surya Sekhar Manna, Sandeep Das, Arunendu Das, Biswarup Pathak, Mater. Adv., 2021, 2, 5213-5223.
3. Solvent-Dependent Photophysical Properties of a Semiconducting One-Dimensional Silver Cluster-Assembled Material, Anish Kumar Das, Sourav Biswas, Surya Sekhar Manna, Biswarup Pathak, and Sukhendu Mandal, Inorg. Chem., 2021, 60, 23, 18234–18241.
2. Recent Trends in Electrode and Electrolyte Designing for Aluminium Battery, Sandeep Das, Surya Sekhar Manna, Biswarup Pathak, ACS Omega 2021, 6, 1043-1053. (Minireview | Front Cover Page Article)
1. Identifying suitable ionic liquid electrolytes for Al dual ion batteries role of electrochemical window, conductivity and voltage, Surya Sekhar Manna, Preeti Bhauriyal and Biswarup Pathak, Mater. Adv., 2020, 1, 1354-1363.