Publications

Publications in peer-reviewed journals

52.	Paul Chowdhury, S. S., and Mogurampelly, S. , Unusual Phonon Thermal Transport Mechanisms in Monolayer Beryllene, arXiv:2409.05766 (in review) (2024).
51.	Mohapatra, S., Teherpuria, H., Mogurampelly, S. , Downton, M., and Kannam, S. K., Ionic Flow Through Partially Blocked Nanopores, Phys. Chem. Chem. Phys. (Accepted) (2024).
50.	Ansari, S. J., Mohapatra, S., Fiorin, G., Klein, M. L., and Mogurampelly, S. , Proton Transport Scenarios in Sulfuric Acid Explored via Ab Initio Molecular Dynamics Simulations, J. Phys. Chem. B. 128(37), 9014-9021 (2024).
49.	Naresh, K. S., Ansari, S. J., Bishwas, A., Dandamudi, U., Mogurampelly, S. , and Chaudhari, S. R., Investigating Curcuminoid Encapsulation in β-Cyclodextrin: Insights from NMR Spectroscopy and MD Simulations, journal (in review) (2024).
48.	Teherpuria, H., Yadav, H., Mohapatra, S., and Mogurampelly, S. , Polymer alignment induced changes in ion solvation structure in EC-LiTFSI electrolytes, journal (in review) (2024).
47.	Teherpuria, H., Paul Chowdhury, S. S., Kannam, S. K., Jaiswal, P. K., and Mogurampelly, S. , Ionic Conductivity Mechanisms in EC-LiTFSI Electrolytes: Interplay of Ion-ion Correlations and Viscosity, arXiv:2401.11182 (in review) (2024).
46.	Ansari, S. J., Kundu, S., and Mogurampelly, S. , Molecular Dynamics Simulations of the Effect of Starch on Transport of Water and Ions Through Graphene Nanopores, J. Mol. Model., 397, 125 (2024).
45.	Kumari, P., Mohapatra, S., Halder, S., and Mogurampelly, S. , Viscosity of Pectin-[BMIM][PF₆] Electrolytes and the Interplay of Ion-ion Interactions, J. Mol. Liq., 397, 124159 (2024).
44.	Ansari, S. J., Haider, S., Mohapatra, S., Varanasi, S. R., and Mogurampelly, S. , Effects of Pectin and Temperature on the Diffusion of Ions and Water in Saltwater Membranes, J. Mol. Liq., 396, 124045 (2024).
43.	Mohapatra, S., Teherpuria, H., Paul Chowdhury, S. S., Ansari, S. J., Jaiswal, P. K., Netz, R. R., and Mogurampelly, S. , Ion Transport Mechanisms in Pectin-containing EC-LiTFSI Electrolytes, Nanoscale 16, 3144-3159 (2024).
42.	Paul Chowdhury, S. S., Samudrala, A., and Mogurampelly, S. , Modeling Interlayer Interactions and Phonon Thermal Transport in Silicene Bilayer, Phys. Rev. B, 108, 155436 (2023).
41.	Mohapatra, S., Halder, S., Chaudhari, S. R., Netz, R. R. and Mogurampelly, S. , Insights into the Structure and Ion Transport of Pectin-[BMIM][PF₆] Electrolytes, J. Chem. Phys. 159, 154902 (2023).
40.	Mohapatra, S., Sharma, S., Sriperumbuduru, A., Varanasi, S. R., and Mogurampelly, S., Effect of Succinonitrile on Ion Transport in PEO-based Lithium Ion Battery Electrolytes, J. Chem. Phys., 156, 214903 (2022).
39.	Kumar, K., Keshri, S., Bharti, A., Kumar, S., and Mogurampelly, S., Solubility of gases in choline chloride-based deep eutectic solvents from molecular dynamics simulation, Ind. Eng. Chem. Res., 61(13), 4659-4671 (2022).
38.	Kumar, K., Bharti, A., and Mogurampelly, S., Insights on choline chloride-based deep eutectic solvent(reline) + primary alcohol mixtures: a molecular dynamics simulation study, J. Mol. Model., 28, 30 (2022).
37.	Prasad, D., Praveen, A., Mohapatra, S. , Mogurampelly, S., and Chaudhari, S. R., Existence of β-diketone form of curcuminoids revealed by NMR spectroscopy, Food Chem., 300, 13000 (2021).
36.	Chandrasekhar, S., Deepa, H. R., Melavanki, R. M., Basanagouda, M. M., Mogurampelly, S., and Thipperudrappa, J., Computational and spectroscopic studies of biologically active coumarin-based fluorophores, Luminescence, 36, 769-787 (2021).
35.	Chandrasekhar, S., Deepa, H. R., Melavanki, R. M., Mogurampelly, S., Basanagouda, M. M., Yallappa, S. and Thipperudrappa, J.,, Quantum chemical and solvatochromic studies of biological active 1,3,4-thiadiazol coumarin derivatives, Chem. Data Collect., 29, 100516 (2020).
34.	Aggarwal, A., Naskar, S., Sahoo, A. K., Mogurampelly, S., Garai, A., and Maiti, P. K., What do we know about DNA mechanics so far?, Curr. Opin. Struct. Biol., 64, 42-50 (2020).
33.	Rojaee, R., Cavallo, S., Mogurampelly, S., Wheatle, B. K., Yurkiv, V., Deivanayagam, R., Foroozan, T., Rasul, Md. G., Sharifi‐Asl, S., Phakatkar, A. H., Cheng, M., Son, S., Pan, Y., Mashayek, F., Ganesan, V., and Shahbazian‐Yassar, R., Highly-Cyclable Room-Temperature Phosphorene Polymer Electrolyte Composites for Li Metal Batteries, Adv. Funct. Mater., 30, 1910749 (2020).
32.	Prasad, D., Mogurampelly, S., and Chaudhari, S. R., R-VAPOL-phosphoric acid based ¹H and ¹³C-NMR for sensing of chiral amines and acids, RSC Adv., 10, 2303-2312 (2020).
31.	Haridasan, N., Kannam, S. K., Mogurampelly, S., and Sathian, S. P., Rotational Diffusion of Proteins in Nanochannels , J. Phys. Chem. B., 123, 4825-4832 (2019).
30.	Mogurampelly, S., MacDermaid, C. M., Percec, S., Klein, M. L., and Fiorin, G., Aggregation of poly(p-phenylene terephthalamide) chains: Emergence of fiber defects, Phys. Rev. Mater., 3, 015602 (2019). (Editor’s Suggestion)
29.	Patra, S., Thakur, P., Soman, B., Puthirath, A. B., Ajayan, P. M., Mogurampelly, S., Chethan, V. K., and Narayanan, T. N., Mechanistic insight into the improved Li ion conductivity of solid polymer electrolytes, RSC Adv., 9, 38646-38657 (2019).
28.	Mogurampelly, S., and Ganesan, V., Ion Transport in Polymerized Ionic Liquid–Ionic Liquid Blends, Macromolecules, 51, 9471-9483 (2018).
27.	Haridasan, N., Kannam, S. K., Mogurampelly, S., and Sathian, S. P., Translational mobilities of proteins in nanochannels: A coarse-grained molecular dynamics study, Phys. Rev. E., 97, 062415 (2018).
26.	Zhang, Z., Mogurampelly, S., Percec, S., Hu, Y., Fiorin, G., Klein, M. L., and Shenqiang Ren, Mechanically Strong Polymer Sheets from Aligned Ultrahigh-Molecular-Weight Polyethylene Nanocomposites, J. Phys. Chem. Lett., 9, 2652-2658 (2018).
25.	Lakshmipriya, A., Chaudhary, M., Mogurampelly, S., Klein, M. L., and Suryaprakash, N., Intramolecular Hydrogen Bonding Appetency for Conformational Penchants in Oxalohydrazide Fluoro Derivatives: NMR, MD, QTAIM, and NCI Studies, J. Phys. Chem. A, 122, 2703-2713 (2018).
20.	Vaidyanathan Sethuraman, Mogurampelly, S., and Ganesan, V., Correction to Multiscale Simulations of Lamellar PS–PEO Block Copolymers Doped with LiPF6 Ions, Macromolecules, 51, 646-649 (2018).
24.	Himanshu Chakraborty, Mogurampelly, S., Vivek K. Yadav, Umesh V. Waghmare, and Klein, M. L., Phonons and thermal conducting properties of borocarbonitride (BCN) nanosheets, Nanoscale , 10, 22148-22154 (2018).
23.	Wheatle, B. K., Keith, J. R., Mogurampelly, S., Lynd, N. A., and Ganesan, V., Influence of Dielectric Constant on Ionic Transport in Polyether-Based Electrolytes, ACS Macro Lett., 6, 1362-1367 (2017).
22.	Garai, A., Mogurampelly, S., Saientan Bag, and Maiti, P. K., Overstretching of B-DNA with various pulling protocols: Appearance of structural polymorphism and S-DNA, J. Chem. Phys., 147, 225102 (2017).
21.	Mogurampelly, S., Keith, J. R., and Ganesan, V., Mechanisms Underlying Ion Transport in Polymerized Ionic Liquids, J. Am. Chem. Soc., 139, 9511-9514 (2017).
20.	Vaidyanathan Sethuraman, Mogurampelly, S., and Ganesan, V., Multiscale Simulations of Lamellar PS–PEO Block Copolymers Doped with LiPF6 Ions, Macromolecules, 50, 4542-4554 (2017).
19.	Mogurampelly, S., and Ganesan, V., Structure and mechanisms underlying ion transport in ternary polymer electrolytes containing ionic liquids, J. Chem. Phys., 146, 074902 (2017).
18.	Keith, J. R., Mogurampelly, S., Wheatle, B. K., and Ganesan, V., Influence of side chain linker length on ion‐transport properties of polymeric ionic liquids, J. Polym. Sci. B Polym. Phys., 55, 1718-1723 (2017).
17.	Keith, J. R., Mogurampelly, S., Wheatle, B. K., and Ganesan, V., Influence of molecular weight on ion-transport properties of polymeric ionic liquids, Phys. Chem. Chem. Phys., 19, 29134-29145 (2017). (Hot Article of the year 2017)
16.	Vaidyanathan Sethuraman, Mogurampelly, S., and Ganesan, V., Ion transport mechanisms in lamellar phases of salt-doped PS–PEO block copolymer electrolytes, Soft Matter, 13, 7793-7803 (2017).
15.	Thomas A Hunt, Mogurampelly, S., Giovanni Ciccotti, Carlo Pierleoni, and Jean-Paul Ryckaert, Particle-Based Modeling of Living Actin Filaments in an Optical Trap, Polymers, 8, 343 (2016).
14.	Mogurampelly, S., Oleg Borodin, and Ganesan, V., Computer Simulations of Ion Transport in Polymer Electrolyte Membranes, Annu. Rev. Chem. Biomol. Eng., 7, 349-371 (2016).
13.	Mogurampelly, S., Vaidyanathan Sethuraman, Victor Pryamitsyn, and Ganesan, V., Influence of nanoparticle-ion and nanoparticle-polymer interactions on ion transport and viscoelastic properties of polymer electrolytes, J. Chem. Phys., 144, 154905 (2016).
12.	Mogurampelly, S., and Ganesan, V., Influence of nanoparticle surface chemistry on ion transport in polymer nanocomposite electrolytes, Solid State Ion., 286, 57-65 (2016).
11.	Saientan Bag, Mogurampelly, S., William A. Goddard III, and Maiti, P. K., Dramatic changes in DNA conductance with stretching: structural polymorphism at a critical extension, Nanoscale, 8, 16044-16052 (2016).
10.	Mogurampelly, S., and Ganesan, V., Effect of Nanoparticles on Ion Transport in Polymer Electrolytes, Macromolecules, 48, 2773-2786 (2015).
9.	Mogurampelly, S., Bidisha Nandy, Netz, R. R., and Maiti, P. K., Elasticity of DNA and the effect of dendrimer binding, Eur. Phys. J. E., 36, 1-9 (2013).
8.	Chaudhari, S. R., Mogurampelly, S., and N. Suryaprakash, Engagement of CF3 Group in N–H···F–C Hydrogen Bond in the Solution State: NMR Spectroscopy and MD Simulation Studies, J. Phys. Chem. B, 117, 1123-1129 (2013).
7.	Mogurampelly, S., and Maiti, P. K., Translocation and encapsulation of siRNA inside carbon nanotubes, J. Chem. Phys., 138, 034901 (2013). (Cover Page Article)
6.	Mogurampelly, S., Swati Panigrahi, Dhananjay Bhattacharyya, A. K. Sood, and Maiti, P. K., Unraveling siRNA unzipping kinetics with graphene, J. Chem. Phys., 137, 054903 (2012). (Editor’s Choice Article)
5.	Bidisha Nandy, Mogurampelly, S., and Maiti, P. K., Interaction of nucleic acids with carbon nanotubes and dendrimers, J. Biosci., 37, 457-474 (2012).
4.	Mogurampelly, S., Swati Panigrahi, Dhananjay Bhattacharyya, A. K. Sood, and Maiti, P. K., Unzipping and binding of small interfering RNA with single walled carbon nanotube: A platform for small interfering RNA delivery, J. Chem. Phys., 136, 065106 (2012).
3.	Mogurampelly, S., and Maiti, P. K., Structural Rigidity of Paranemic Crossover and Juxtapose DNA Nanostructures, Biophys. J., 101, 1393-1402 (2011).
2.	Mogurampelly, S., Maiti, P. K., and A. K. Sood, Elastic Properties of Boron Nitride Nanotubes and Their Comparison with Carbon Nanotubes, J. Nanosci. Nanotechnol., 9, 5425-5430 (2009).
1.	Mogurampelly, S., and Maiti, P. K., Force induced DNA melting, J. Phys. Condens. Matter, 21, 034113 (2008).

Peer-reviewed Conference Papers published

4.	Mohapatra, S., and Mogurampelly, S., Ionic Conductivity and the Correlation with Viscosity in Pectin Ionic Liquid Electrolytes, AIP Proceedings, (xxx) (2024).
3.	Thapliyal, S., Paul Chowdhury, S. S., and Mogurampelly, S., Modeling Germanene Monolayer: Interaction Potentials and Insights into the Phonon Thermal Conductivity, Energy Materials and Devices. E-MAD 2022. Part of the book series: Advances in Sustainability Science and Technology. Springer, Singapore, 5 , 325-335 (2024).
2.	Teherpuria, H., Paul Chowdhury, S. S., Mohapatra, S., Jaiswal, P. K., and Mogurampelly, S., Diffusion and Ion-Ion Correlations in EC-LiTFSI Electrolytes, Energy Materials and Devices. E-MAD 2022. Part of the book series: Advances in Sustainability Science and Technology. Springer, Singapore, 5 , 59-70 (2024).
1.	Haridasan, N., Kannam, S. K., Mogurampelly, S., and Sathian, S. P., Stokes-Einstein-Debye Relation: A Check of Validity for Proteins in Nanoconfinement, Proceedings of the 5th World Congress on Mechanical, Chemical, and Material Engineering (MCM'19), HTFF 177 (2019).

Book chapters published

Hemant Kumar, Debabrata Pramanik, Mogurampelly, S., Velachi Vasumati, Bidisha Nandy, and Maiti, P. K., Graphene and Carbon Nanotube-Based Nanomaterial: Application in Biomedical and Energy Research, Handbook of Carbon Nano Materials, 6, 189-236 (2014).