Sushri Soumya Jena

About

Sushri Soumya Jena works in computational materials science on NDI-based conducting polymers, using Density functional theory (DFT), time-dependent density functional theory (TD-DFT), and molecular dynamic (MD) simulations to study the electronic structure, optical properties, and morphological properties.
Her current research focuses on AI-powered multiscale modeling of mixed ionic–electronic conducting polymers, integrating machine learning with QM/MM simulations for advanced materials design.

Employment

• Laboratory of Organic Electronics, Linköping University Postdoctoral Fellow
  2026 - Present
• Birla Institute of Technology and Science, Pilani Research Scholar
  2021 - 2025
• Indian Institute of Technology Bhubaneswar Project Assistant
  2018 - 2021
• Utkal University Intern
  2018 - 2018
• National Institute of Science Education and Research Summer Intern
  2016 - 2016

Education

Education history is unavailable.

Projects & Funding

Projects & funding information is unavailable.

Publications (9)

• Computational Design of Isomeric Naphthalenediimide–Naphthodithiophene (NDI–NDT) Copolymers for Organic Electronics
  ACS Applied Polymer Materials 2025 DOI: 10.1021/acsapm.5c01347
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• Electrochemical Doping for Absorption and Conductivity Tuning of P(NDI2OD‐T2) Films
  Advanced Electronic Materials 2025 DOI: 10.1002/aelm.202400956
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• Theoretical Investigation of Electronic and Optical Properties of NDI-Fused-Bithiophene (NDI-f-BT) Copolymer at Different Redox States for Single-Component Ambipolar Transistors
  The Journal of Physical Chemistry C 2025 DOI: 10.1021/acs.jpcc.5c00201
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• Exploring an n-type conducting polymer (BBL) as a potential gas sensing material for NH3 and H2S detection
  Scientific Reports 2025 DOI: 10.1038/s41598-025-93977-4
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• Evolution of electronic structure and optical properties of naphthalenediimide dithienylvinylene (NDI-TVT) polymer as a function of reduction level: a density functional theory study
  Physical Chemistry Chemical Physics 2025 DOI: 10.1039/d4cp02770a
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• Nanostructural evolution of hydrothermally grown SrTiO3 perovskite and its implementation in gaseous phase detection of ethanol
  Nanotechnology 2023 DOI: 10.1088/1361-6528/ace44d
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• Colossal Stability of SiB11(BO)12−: An Implication as Potential Electrolyte in High‐Voltage Alkali‐ion Battery
  ChemPhysChem 2023 DOI: 10.1002/cphc.202300032
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• Halogen-Free Electrolytes Based on Modified Boranes for Alkali-Ion Batteries
  The Journal of Physical Chemistry C 2022 DOI: 10.1021/acs.jpcc.2c00300
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• Electrolytic Solvation Effects in Fluoroethylene Carbonate and Trifluoropropylene Carbonate: A Comparative Study Based on First-Principles Calculation
  Journal of Electronic Materials 2021 DOI: 10.1007/s11664-020-08601-0
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