Avisek Das

7PUBLICATIONS
6CO-AUTHORS
Theory and design of materialsNanofabrication, growth and self assemblyPolymerisation mechanismsStructural properties of condensed matterChemical thermodynamics and energetics
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Publications (7)

|Aug 20, 2026
How predictive is peptide self-assembly?: correlating single- and bi-molecular structural properties with nanoscale assemblies.

|Oct 07, 2025
Atomistic picture of the self-assembly dynamics of phenylalanine tripeptide into nanofibres: hierarchical mechanism and the role of on-pathway water dynamics.

Rumela Adhikary, Argha Chakraborty, Sangeeta Das

|May 19, 2025
Understanding pathway complexity in assembly mechanisms of hydrophobic peptides in water: Insights from atomistic simulations via event tracking.

Argha Chakraborty, Rumela Adhikary, Sangeeta Das

|May 19, 2025
Correlating molecular structures and self-assembly mechanisms via temporal analysis of multidimensional chemical interaction space: application to assemblies of isomeric peptides.

Sangeeta Das, Rumela Adhikary, Snehamay Bagchi

|Nov 27, 2024
Understanding orientational disorder in crystalline assemblies of hard convex polyhedra.

Sumitava Kundu, Kaustav Chakraborty, Avisek Das

|Mar 19, 2024
Role of Explicit Solvation in Computational Modeling of Chemical Reactions: Mechanism of Cu(I) Transfer Between Thiolate-Based Chelators in Water.

Soumak Ghosh, Sk Hasibo Hassan, Avisek Das

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Frequent Collaborators

4 joint publications

Argha Chakraborty

3 joint publications

Sangeeta Das

3 joint publications

Rumela Adhikary

1 joint publications

Sumitava Kundu