Publications

Note: I am presently in the process of editing the following two books. If you are interested in contributing a chapter, please don't hesitate to contact me.

1. Advances in Polymer Composite Research: Integrating Experimental and Computational Approaches.

Publisher: CRC Press, Tentative publication by: March 2024

2. Polymer composites: From computational to experimental.

Publisher: SpringerNature, Tentative publication by: March 2024

Below, you’ll find my publications in reputed SCI journals, Books, Book chapters, and Int. Conferences.

In peer-reviewed SCI journals:

1. Sethi, S.K., Singh, M., and Manik, G., "A multi-scale modeling and simulation study to investigate the effect of roughness of a surface on its self-cleaning performance." Molecular Systems Design & Engineering (2020). DOI: 10.1039/D0ME00068J. (IF: 4.92) (Selected as HOT MSDE article and made free to access for a limited time period)

2. Sethi, S.K., Kadian, S., Goel, A., Chauhan, R.P., and Manik, G., "Fabrication and Analysis of ZnO Quantum Dots Based Easy Clean Coating: A Combined Theoretical and Experimental Investigation." ChemistrySelect 5.29 (2020): 8942-8950. DOI: doi.org/10.1002/slct.202001092. (IF: 2.307)

3. Sethi, S.K., Soni, L., Shankar, U. and Manik, G., "A molecular dynamics simulation study to investigate poly (vinylacetate)-poly (dimethylsiloxane) based easy‑clean coating: An insight into the surface behavior and substrate interaction." Journal of Molecular Structure (2019): 127342. DOI: https://doi.org/10.1016/j.molstruc.2019.127342. (IF: 3.841)

4. Sethi, S.K., Shankar, U. and Manik, G., "Fabrication and characterization of non-fluoro based transparent easy-clean coating formulations optimized from molecular dynamics simulation." Progress in Organic Coatings 136 (2019):105306. DOI: doi.org/10.1016/j.porgcoat.2019.105306. (IF: 6.206)

5. Sethi, S.K., Soni, L., Manik, G., “Component compatibility study of poly(dimethylsiloxane) with poly(vinyl acetate) of varying hydrolysis content: An atomistic and mesoscale simulation approach” Journal of Molecular Liquids, Vol 272, pp 73-83, 2018, DOI: doi.org/10.1016/j.molliq.2018.09.048. (IF: 6.633)

6. Sethi, S.K., and Manik, G., “Recent progress in superhydrophobic/hydrophilic self-cleaning surfaces for various industrial applications: A review”, Polymer - Plastics Technology and Engineering, Taylor & Francis, 57(18), 1932-1952, 2018. DOI: doi.org/10.1080/03602559.2018.1447128. (IF: 2.439)

7. Sethi, S.K., and Manik, G., "A combined theoretical and experimental investigation on the wettability of MWCNT filled PVAc-g-PDMS easy-clean coating", Progress in Organic Coatings 151: 106092, 2021. DOI: https://doi.org/10.1016/j.porgcoat.2020.106092. (IF: 6.206)

8. Sethi, S.K., Kadian, S. and Manik, G., “A Review of Recent Progress in Molecular Dynamics and Coarse-Grain Simulations Assisted Understanding of Wettability”. pp- 1-27, 2022, Archives of Computational Methods in Engineering. DOI: https://doi.org/10.1007/s11831-021-09689-1. (IF: 8.171)

9. Sethi, S.K., “Recent Progress in Superhydrophobic Coatings Using Molecular Dynamics Simulations and Experimental Techniques” pp-23-32, 2022, Journal of Non-Metallic Material Science. DOI: https://ojs.bilpublishing.com/index.php/nmms/article/view/4768

10. Sethi, S.K., Gogoi, R., Verma, A., and Manik, G., “How can the geometry of a rough surface affect its wettability? -A coarse-grained simulation analysis” Progress in Organic Coatings. 2022 DOI: https://doi.org/10.1016/j.porgcoat.2022.107062 (IF: 6.206)

11. Sethi, S.K., Kadian, S., Gogoi, R., and Manik, G., “Layer-by-layer fabrication of self-cleaning superhydrophobic surface made from Carboxymethylcellulose and ZnO quantum dots: A combined experimental and computational study”. Vol- 37, 2023. Surfaces and Interfaces. DOI: https://doi.org/10.1016/j.surfin.2023.102752 (IF: 6.137)

12. Verma, O.P., Manik, G., Sethi, S. K., “A comprehensive review of renewable energy source on energy optimization of black liquor in MSE using steady and dynamic state modeling, simulation and control”, Renewable & sustainable energy reviews, Volume 100, February 2019, Pages 90-109. DOI: doi.org/10.1016/j.rser.2018.10.002. (IF: 16.799)

13. Khandelwal, V., Sahoo, S. K., Kumar, A., Sethi, S.K., Manik, G., “Bio-sourced electrically conductive epoxidized linseed oil-based composites filled with polyaniline and carbon nanotubes”, 172, 76-82 (2019) Composites part B: Engineering, DOI: doi.org/10.1016/j.compositesb.2019.05.050. (IF: 11.322)

14. Agrawal, A., Samal, S.K., Sethi, S.K., Manik, G., and Agrawal, R., “Microgel/silica hybrid colloids: Bioinspired synthesis and controlled release application”, Volume-178, pp-121599, 2019, Polymer, DOI: doi.org/10.1016/j.polymer.2019.121599. (IF: 4.432)

15. Kadian, S., Sethi, S.K., and Manik, G., “Recent advancements in synthesis and property control of graphene quantum dots for "biomedical and optoelectronic applications”, Volume- 5, pp- 627-658, 2020, Materials Chemistry Frontiers. DOI: https://doi.org/10.1039/D0QM00550A. (IF: 8.683)

16. Gogoi, R., Sethi, S.K. and Manik, G., “Surface functionalization and CNT coating induced improved interfacial interactions of carbon fiber with polypropylene matrix: A molecular dynamics study”, Volume- 539, pp-148162, 2021, Applied Surface Science. DOI: https://doi.org/10.1016/j.apsusc.2020.148162. (IF: 7.392)

17. Saini, A., Yadav, C., Sethi, S.K., Xue, B., Xia, Y., Lic, K., Manik, G., and Li, X., “Micro-designed Nanocellulose Based Flexible Antibacterial Architectures Impregnated with Bioactive Cinnamomum cassia”, Volume- 13, pp- 4874-4885, 2021, ACS Applied Materials & Interfaces. DOI: https://doi.org/10.1021/acsami.0c20258. (IF 10.383)

18. Shankar U., Sethi, S.K., Singh, B.P., Kumar, A., Manik G., and Bandyopadhyay, A., “Optically transparent and lightweight nanocomposite substrate of poly(methyl methacrylate-co-acrylonitrile)/MWCNT for optoelectronic applications: an experimental and theoretical insight ”, Volume- 56, pp- 17040-17061, 2021, Journal of Materials Science DOI: https://doi.org/10.1007/s10853-021-06390-3 (IF: 4.682)

19. Maurya Atul K., Gogoi, R., Sethi, S.K., and Manik, G., “A combined theoretical and experimental investigation of the valorization of mechanical and thermal properties of the fly ash-reinforced polypropylene hybrid composites”, Volume- 56, pp- 16976–16998, 2021, Journal of Materials Science. DOI: https://doi.org/10.1007/s10853-021-06383-2 (IF: 4.682)

20. Singh, M., Sethi, S.K., and Manik, G., "Pressure-sensitive adhesives based on acrylated epoxidized linseed oil: A computational approach”, Volume- 112, pp-103031, 2022, Int. Journal of Adhesions and Adhesives. DOI: https://doi.org/10.1016/j.ijadhadh.2021.103031. (IF: 3.848)

21. Sood A., Dhiman A., Sethi S.K., Manik G., Agrawal G., “Encapsulation of Wax in Complete Silica Microcapsules”, pp-1-14, 2022, Journal of Materials Research. DOI: https://doi.org/10.1557/s43578-022-00865-y (IF: 2.909)

22. Gogoi, R., Sethi, S.K., Maurya Atul K. and Manik, G., “A molecular dynamics assisted insight on the enhancement of interfacial adhesion of carbon fiber with PP matrix via a combination of surface functionalization and defect laden CNT coating”, Vol-68, 2023. Colloids and Surfaces A: Physicochemical and Engineering Aspects. DOI: https://doi.org/10.1016/j.colsurfa.2023.131455 (IF: 5.518)

Books

1. Verma, A., Sethi, S.K., and Ogata, S., “Coating Materials: Computational aspects, Applications and Challenges”, Springer, eBook ISBN: 978-981-99-3549-9. https://link.springer.com/book/9789819935482

2. Sethi, S.K., Gupta, H.S., and Verma, A., “Polymer Composites: From Computational to Experimental Aspects”, Springer, (Status: Accepted).

3. Sethi, S.K., Gangil, B., and Verma, A., “Hybrid composites: multi-scale mechanics”, Springer, (Status: Accepted).

Book chapters

1. Sethi, S.K., Manik, G. and Sahoo, S.K., "Fundamentals of superhydrophobic surfaces", Superhydrophobic Polymer Coatings. Publisher- Elsevier, 2019. 3-29. DOI: https://doi.org/10.1016/B978-0-12-816671-0.00001-1

2. Sethi, S.K., Gogoi, R. and Manik, G., “Plastics in self-cleaning applications” Module in Materials Science and Materials Engineering. Publisher- Elsevier, 2022. DOI: https://doi.org/10.1016/B978-0-12-820352-1.00113-9

3. Chaturvedi, S., Verma, A., Sethi, S.K., Sanjay, M.R. and Siengchin, S., “Stalk fibers (rice, Wheat, barley etc.,) fibers, their composites and applications”, Plant fibers, their composites and applications Publisher- Elsevier. DOI: https://doi.org/10.1016/B978-0-12-824528-6.00009-6

4. Verma, A., Jain., N., and Sethi, S.K., “Modeling and simulation of graphene-based composites”, Innovations in Graphene-Based Polymer Composites, Publisher- Elsevier (Woodhead Publishing). DOI: https://doi.org/10.1016/B978-0-12-823789-2.00001-7

5. Shankar, U., Verma, A., and Sethi, S.K., “Forcefields and Modelling of Polymer Coatings and nanocomposites”, Forcefields for Atomistic-Scale Simulations: Materials and Applications, Publisher- Springer Nature. DOI: 10.1007/978-981-19-3092-8_4

6. Shankar, U., Gogoi, R., Verma, A., and Sethi, S.K., “Introduction to Materials Studio software for the Atomistic-Scale Simulations”, Forcefields for Atomistic-Scale Simulations: Materials and Applications, Publisher- Springer Nature. DOI: 10.1007/978-981-19-3092-8_15

7. Chaturvedi, S., Verma, A., Sethi, S.K., and Ogata, S., “Defect Energy Calculations of Nickel, Copper and Aluminium (and Their Alloys): Molecular Dynamics Approach”, Forcefields for Atomistic-Scale Simulations: Materials and Applications, Publisher: Springer Nature. DOI: 10.1007/978-981-19-3092-8_8

8. Kataria, A., Verma, A., Sethi., S.K., and Ogata, S., “Introduction to Interatomic Potentials/Forcefields”, Forcefields for Atomistic-Scale Simulations: Materials and Applications, Publisher: Springer Nature. DOI: 10.1007/978-981-19-3092-8_2

9. Gupta, H.S., Kumar, P., and Sethi, S.K.*, “Software based simulation of creep-recovery model of polymer composites”, Study of dynamic mechanical and creep-recovery behavior of polymer composites: overview, effect of cross-linking and mathematical modeling, Publisher: Elsevier. (Status: Accepted).

10. Gupta, H.S. and Sethi, S.K.*, “Computational aspects: Self-clean coatings, Plastics and Polymers in coatings”, Coating Materials: Computational aspects, Applications and Challenges. Publisher: Springer Nature. (Status: Accepted).

11. Gupta, H.S. and Sethi, S.K.*, “Applications of coating materials”, Coating Materials: Computational aspects, Applications and Challenges. Publisher: Springer Nature. (Status: Accepted).

International Conferences:

1. S. K. Sethi, M. Singh and G. Manik, “Understanding the impact of carbon nanotubes on PVAc-g-PDMS based transparent self-clean coatings: A molecular simulation approach”, in 30th International Conference on Diamond and Carbon Materials, Seville, Spain, 8-12th September 2019.

2. R. Gogoi, S K. Sethi and G. Manik, “Study of the effects of CNT growth over carbon fibre on interfacial properties using molecular dynamics simulations, in 30th International Conference on Diamond and Carbon Materials”, Seville, Spain, 8-12th September 2019.

3. R. Gogoi, N. Kumar, S. Mireja, S. K. Sethi and G. Manik, “Natural fibre-based hybrid polypropylene composites: An insight into thermal properties”, 22nd international conference on composite materials, (ICCM22) Melbourne-Australia, August 2019.

4. S. K. Sethi, L. Soni and G. Manik, “Molecular dynamics simulation of PVAc-b-PDMS based easy-clean coating material”, in COMPFLU, IIT Roorkee, 6‑9th December 2018.

5. M. Singh, S. K. Sethi and G. Manik, “A molecular simulation approach for the development of pressure-sensitive adhesives based on acrylated epoxidized linseed oil”, COMPFLU, IIT Roorkee, 6-9th December 2018.

6. V.K. Gaurav, C. Sharma, R. Buhlan and S.K. Sethi, “Fuzzy-based Probabilistic Ecological Risk Assessment Approach: A Case Study of Heavy Metal Contaminated Soil. In Soft Computing: Theories and Applications” (pp. 419-431). Springer, Singapore, 2018, DOI: https://doi.org/10.1007/978-981-10-5699‑4_39

7. S. K. Sethi, L. Soni, G. Manik, “Blend compatibility studies using atomistic and mesoscale molecular dynamics simulations, 5th International Conference on Material Science, Metals and Manufacturing”, Singapore, 12-13th March 2018.

8. S. K. Sethi, L. Soni, G. Manik, “Exploring surface characteristics and substrate interfacial adhesion of PDMS-b-PVAc and PDMS-b-PVOH block copolymer”, ACS on Campus, IIT Roorkee, 7th February 2018.

9. S. K. Sethi, R. Gogoi and G. Manik, “Study of self-cleaning and blend compatibility of PDMS-PVAc system using molecular dynamics simulations”, Fourth International Symposium on Advances in Sustainable Polymers (APS 17), IIT Guwahati, 8-12th January 2018.

10. N. Kumar, S. K. Sethi, and G. Manik, “Effect of chain length and branching on properties predicted by Molecular Dynamics simulations”, MACRO-2017, held at Thiruvananthapuram, 8-12th January 2017.

11. S. K. Sethi, N. Kumar and G. Manik, “Molecular dynamics simulations of hydrolyzed PVAc-PFO based anti-stain self-clean coatings”, in MACRO-2017, held at Thiruvananthapuram, 8-12th January 2017.

12. S. K. Sethi, L. Soni and A. S. Panwar, “An insight into virus rupture mechanism using coarse-grain molecular dynamics simulation”, in ICNNN-2022, held at Tokyo, Japan, 26-28th November 2022.