Publications

Thickening of Liquids Using Copolymer Grafted Nanoparticles

Published in Soft Matter, vol. 21, no. 21, pp. 4156–4164, 2025

Recommended citation: P. Adhya, S.M.B Gautham, T. K. Patra, M. Kaushal, and T. Mondal (2025) “Thickening of liquids using copolymer grafted nanoparticles” Soft Matter, 21(21), 4156-4164, The Royal Society of Chemistry.

Recommended citation: P. Adhya, S.M.B Gautham, T. K. Patra, M. Kaushal, and T. Mondal (2025). "Thickening of liquids using copolymer grafted nanoparticles." Soft Matter, 21(21), 4156-4164. https://doi.org/10.1039/D5SM00241A

Nanotetrapods Promote Polymer Flow Through Confinement-Induced Packing Frustration

Published in Nature Communications, vol. 16, article 8550, 2025

Mixing tetrapod-shaped nanoparticles into a polymer melt can make it flow more easily: the inner curvature of nanotetrapods imposes strong physical confinement on nearby chains, creating a packing frustration that increases polymer mobility and lowers viscosity — in contrast to compact particles like spheres or rods, which tend to thicken the melt.

Recommended citation: S.M.B Gautham, J. Sarkar, and T. K. Patra (2025). "Nanotetrapods promote polymer flow through confinement induced packing frustration." Nature Communications, 16, 8550. https://doi.org/10.1038/s41467-025-63555-3

Blend Membranes of Sulphonated Poly(arylene ether sulphone) and Sulphonated Polybenzimidazole and Their Characterization for Desalination Applications

Published in Bulletin of Materials Science, vol. 47, no. 4, 2024

Recommended citation: K. R. Venkatachalam, S.M.B Gautham, A. Anegondi Nateri, and J. Nambi Krishnan (2024) “Blend membranes of sulphonated poly(arylene ether sulphone) and sulphonated polybenzimidazole and their characterization for desalination applications” Bulletin of Materials Science, 47(4).

Recommended citation: K. R. Venkatachalam, S.M.B Gautham, A. Anegondi Nateri, and J. Nambi Krishnan (2024). "Blend membranes of sulphonated poly(arylene ether sulphone) and sulphonated polybenzimidazole and their characterization for desalination applications." Bulletin of Materials Science, 47(4). https://doi.org/10.1007/s12034-024-03322-0

Predicting Polymer Grafted Nanoparticles Assembly using Deep Learning

Published in APS March Meeting Abstracts, 2023, N00.002, 2023

Conference proceeding presented at the American Physical Society March Meeting 2023, Las Vegas, Nevada.

Recommended citation: S.M.B Gautham and T. Patra (2023). "Predicting Polymer Grafted Nanoparticles Assembly using Deep Learning." APS March Meeting Abstracts, N00.002. https://ui.adsabs.harvard.edu/abs/2023APS..MARN00002G

Desalination Characteristics of New Blend Membranes Based on Sulfonated Polybenzimidazole and Sulfonated Poly(arylene ether sulfone)

Published in Polymer Bulletin, vol. 80, no. 7, pp. 7805–7824, 2023

Recommended citation: K. R. Venkatachalam, S.M.B Gautham, and J. N. Nambi Krishnan (2023) “Desalination characteristics of new blend membranes based on sulfonated polybenzimidazole and sulfonated poly(arylene ether sulfone)” Polymer Bulletin.

Recommended citation: K. R. Venkatachalam, S.M.B Gautham, and J. N. Nambi Krishnan (2023). "Desalination characteristics of new blend membranes based on sulfonated polybenzimidazole and sulfonated poly(arylene ether sulfone)." Polymer Bulletin, 80(7). https://doi.org/10.1007/s00289-022-04428-3

Nano-Enhanced Sulfonated Poly(arylene ether sulfone) Composite Membranes and Their Characterization

Published in High Performance Polymers, vol. 34, no. 10, pp. 1193–1203 (SAGE Publications), 2022

Recommended citation: K. R. Venkatachalam, S.M.B Gautham, A. Anegondi Nateri, and J. Nambi Krishnan (2022) “Nano-enhanced sulfonated poly(arylene ether sulfone) composite membranes and their characterization” High Performance Polymers, 34(10), 1193-1203, SAGE Publications.

Recommended citation: K. R. Venkatachalam, S.M.B Gautham, A. Anegondi Nateri, and J. Nambi Krishnan (2022). "Nano-enhanced sulfonated poly(arylene ether sulfone) composite membranes and their characterization." High Performance Polymers, 34(10), 1193-1203. https://doi.org/10.1177/09540083221112306

Deep Learning Potential of Mean Force Between Polymer Grafted Nanoparticles

Published in Soft Matter, vol. 18, no. 41, pp. 7909–7916 (The Royal Society of Chemistry), 2022

Recommended citation: S.M.B Gautham and T. K. Patra (2022) “Deep learning potential of mean force between polymer grafted nanoparticles” Soft Matter, 18(41), 7909-7916, The Royal Society of Chemistry.

Recommended citation: S.M.B Gautham and T. K. Patra (2022). "Deep learning potential of mean force between polymer grafted nanoparticles." Soft Matter, 18(41), 7909-7916. https://doi.org/10.1039/D2SM00945E

Sequence-Defined Pareto Frontier of a Copolymer Structure

Published in Journal of Polymer Science, vol. 60, no. 14, pp. 2100–2113, 2022

The correlations between the sequence of monomers in a macromolecule and its three-dimensional (3D) structure is a grand challenge in polymer science. The properties and functions of macromolecules depend on their 3D shape that has appeared to be dictated by their monomer sequence. To address this problem, we combine evolutionary computing and coarse-grained molecular dynamics (CGMD) simulation and study the sequence-structure correlations of a model AB-type copolymer in solution, and assess the impact of sequence on packing density in its bulk phase. The CGMD-based evolutionary algorithm screens the sequence space of a single-chain copolymer efficiently and identifies a wide range of single-molecule structures including extremal radii of gyration, estimating the Pareto front of the structure-space of a binary copolymer as a function of its composition.

Recommended citation: A. A. Bale, S.M.B Gautham, and T. K. Patra (2022). "Sequence-defined Pareto frontier of a copolymer structure." Journal of Polymer Science, 60(14), 2100-2113. https://doi.org/10.1002/pol.20220088

Manuscripts in Preparation

S.M.B Gautham, R. Banerjee, and P. K. Maiti, “Optimizing water harvesting in TTBA COF: An advanced NVT+W approach” (2026)
S.M.B Gautham and P. K. Maiti, “Tuning the viscoelasticity of paint formulations using copolymer grafted nanocomposites” (2026)
S.M.B Gautham, R. Banerjee, and P. K. Maiti, “Molecular mechanisms of water adsorption in functionalized covalent organic frameworks” (2027)
S.M.B Gautham and T. K. Patra, “Machine learning guided design of multi-component copolymer nanocomposites for industrial coatings” (2027)

Sachin MB Gautham

Publications

Manuscripts in Preparation