Publications

Anjana Barange, Meitram Niraj Luwang, and Santosh Kumar Meena "Investigating the Design of ssPalmO-Derived Lipid Nanoparticles for mRNA Delivery Applications Using Molecular Dynamics Simulations" ACS Omega DOI: https://doi.org/10.1021/acsomega.5c05079 

Miteshkumar Moirangthem, Kush Kumar, and Santosh Kumar Meena "Chapter 11: Molecular Dynamics (MD): Engineering Nanoparticles for Biomedical Applications: From Theory to Experiments and Modeling" Wiley-VCH GmbH 2025, DOI: https://doi.org/10.1002/9783527844791.ch11 

Miteshkumar Moirangthem, Kush Kumar, Lagan Dhanda and Santosh Kumar Meena "Investigating the Multifunctional Coating Design for Metal Surfaces: Insights from Molecular Dynamics Simulations" ACS Omega 2025,10, 41, 48900–48911 DOI: https://pubs.acs.org/doi/full/10.1021/acsomega.5c07217 

Ayekpam Thoungamba Meitei, Miteshkumar Moirangthem, Ningombam Yaiphaba, Santosh Kumar Meena, Rajkumar Sunil Singh "Supramolecular Gels from Sulfonic Acid-Containing Two-Component Gelators: Molecular Dynamics Simulation, Dye Absorption and Multianalyte Sensing Studies" Langmuir 2025 DOI: https://doi.org/10.1021/acs.langmuir.5c01976 

Shivangi Mehta, Man Singh, Kalpana Garg, Rashmi Nidhi Mishra, Kush Kumar, Miteshkumar Moirangthem, Santosh Kumar Meena, Tharamani C Nagaiah “Unlocking Long Life Aqueous Zinc‐Sulfur Rechargeable Battery Derived from Zinc Waste Powering 30 LEDs”, Adv. Energy Mater. 2025, 2501214 DOI:  https://doi.org/10.1016/j.ensm.2024.103965 

Man Singh, Sukhjot Kaur, Shivangi Mehta, Mukesh Kumar, Kush Kumar, Santosh Kumar Meena, Tharamani C Nagaiah, “Boosted Capacity and Stability of Aqueous Iron-Sulfur Battery using DMSO as an Electrolyte Additive”, Energy Storage Materials. 2024, 103965 DOI:  https://doi.org/10.1016/j.ensm.2024.103965 

Shivangi Mehta, Sukhjot Kaur, Man Singh, Mukesh Kumar, Kush Kumar, Santosh Kumar Meena, Tharamani C Nagaiah, “Unleashing Ultrahigh Capacity and Lasting Stability: Aqueous Zinc‐Sulfur Batteries”, Adv. Energy Mater. 2024, 2401515 DOI: https://doi.org/10.1002/aenm.202401515 

Jayesh R. Shimpi, Rinto Thomas, Santosh Kumar Meena, and Bhagavatula L. V. Prasad, “Influence of van der Waals Interactions between the Alkyl Chains of Surface Ligands on the Size and Size Distribution of Nanocrystals Prepared by the Digestive Ripening Process”, Langmuir 2023, 39, 49, 17733-17744 DOI: https://pubs.acs.org/doi/abs/10.1021/acs.langmuir.3c02316

Mohammad Aarabi, Daniel Aranda, Samira Gholami, Santosh Kumar Meena, Frederic Lerouge, Yann Bretonniere, Ilke Gürol, Patrice Baldeck, Stephane Parola, Fabienne Dumoulin, Javier Cerezo, Marco Garavelli, Fabrizio Santoro, Ivan Rivalta "Quantum-Classical Protocol for Efficient Characterization of Absorption Lineshape and Fluorescence Quenching upon Aggregation: The Case of Zinc Phthalocyanine Dyes" J. Chem. Theory Comput. 2023, 19, 17, 5938-5957 DOI: https://pubs.acs.org/doi/full/10.1021/acs.jctc.3c00446

Vishwas Akavaram, Kush Kumar, Shreya Sriram, Saisrinath Narra, Akshant Kumawat, Santosh Kumar Meena, Karthik Pushpavanam, “Self-Assembled Amino Acid Microstructures as Biocompatible Physically Unclonable Functions (BPUFs) for Authentication of Therapeutically Relevant Hydrogels”, Macromol. Biosci., 2023, 2300091 DOI:https://doi.org/10.1002/mabi.202300091

Santosh Kumar Meena and Chandrakala Meena, “The implication of adsorption preferences of ions and surfactants on shape control of gold nanoparticles: a microscopic, atomistic perspective”, Nanoscale., 2021, 13, 19549-19560 DOI:https://doi.org/10.1039/D1NR05244F

Santosh Kumar Meena, Frederic Lerouge, Patrice Baldeck, Marco Garavelli, Stephane Parola, Marialore Sulpizi and Ivan Rivalta, “On the Origin of Controlled Anisotropic Growth of Monodisperse Gold Nanobipyramids”, Nanoscale., 2021, 13, 15292-15300 DOI:https://doi.org/10.1039/D1NR01768C

Michael S Denny, Jr, Lucas R Parent, Joseph P Patterson, Santosh Kumar Meena, Huy Pham, Patricia Abellan, Quentin M Ramasse, Francesco Paesani, Nathan C Gianneschi, Seth M Cohen, “Transmission Electron Microscopy Reveals Deposition of Metal Oxide Coatings onto Metal-Organic Frameworks.”   J. Am. Chem. Soc., 2018, 140, 1348-1357 DOI:https://doi.org/10.1021/jacs.7b10453

 Santosh Kumar Meena, Claire Goldmann, Douga Nassoko, Mahamadou Seydou, Thomas Marchandier, Simona Moldovan, Ovidiu Ersen, Francois Ribot,Corinne Chanéac, Clément Sanchez, David Portehault, Frederik Tielens and Marialore Sulpizi, “Nanophase segregation of self-assembled monolayers on gold nanoparticles.” ACS Nano, 2017, 11, 7371-7381 DOI:https://doi.org/10.1021/acsnano.7b03616 

Philipp Schäfer, Anusha Lalitha, Paula Sebastian, Santosh Kumar Meena, Juan Feliu, Marialore Sulpizi, Monique A. van der Veenf, Katrin F. Domkea, “Trimesic acid on Cu in ethanol: Potential-dependent transition from 2-D adsorbate to 3-D metal-organic framework” J. Electroanal. Chem., 2017, DOI: http://dx.doi.org/10.1016/j.jelechem.2017.01.025

 Santosh Kumar Meena and Marialore Sulpizi, “From nanoseeds to rods: The microscopic origin of the anisotropic growth”Angew. Chem. Int. Ed., 2016, 19, 55(39), 11960-11964 DOI:https://doi.org/10.1002/anie.201604594

Santosh Kumar Meena and Marialore Sulpizi, “From nanoseeds to rods: The microscopic origin of the anisotropic growth”Angewandte Chemie., 2016, 128 (39), 55(39), 12139 -12143 DOI:https://doi.org/10.1002/ange.201604594

Santosh Kumar Meena, Andreas Henkel, Carsten Soennichsen, Marialore Sulpizi, “Role of halide ions in the anisotropic growth of gold nanoparticles: A microscopic, atomistic perspective” Phys. Chem. Chem. Phys., 2016, 18, 13246-13254 DOI:https://doi.org/10.1039/C6CP01076H

Santosh Kumar Meena and Marialore Sulpizi, “Understanding the microscopic origin of gold nanoparticle anisotropic growth from molecular dynamics simulations” Langmuir, 2013, 29 (48), 14954-14961 DOI:https://doi.org/10.1021/la403843n

 Chettiannan Ravikumar, Santosh Kumar, Rajdip Bandyopadhyaya, "Aggregation of dextran coated magnetic nanoparticles in aqueous medium: Experiments and Monte Carlo simulation" Colloids Surf. A., 2012, 403, 1-6 DOI: https://doi.org/10.1016/j.colsurfa.2012.02.007 

 Santosh Kumar, Chettiannan Ravikumar, Rajdip Bandyopadhyaya, "State of dispersion of magnetic nanoparticles in an aqueous medium: Experiments and Monte Carlo simulation" Langmuir, 2010, 26 (23), 18320–18330 DOI:https://doi.org/10.1021/la1017196