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Arun Srikanth

Research fellow

Heriot watt University

Edinburgh, United Kingdom

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Research Fellow at Heriot-Watt University | Molecular simulations of polymers & thermosets | Linking atomistic insights to materials performance

My organisation

Heriot watt University

Heriot watt University

University

Edinburgh, United Kingdom

At Heriot-Watt University, we pride ourselves on being a leader in education and research, driving innovation across diverse fields. With a strong international presence and partnerships, we collaborate with industry leaders to address real-world challenges. Our commitment to quality education equips students with the skills and knowledge necessary to excel in their careers. Join us as we shape the future of learning and research, fostering a vibrant community that values inclusivity and excellence.
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About me

My name is Arun Srikanth Sridhar, and I am currently a Research Fellow in the School of Engineering and Physical Sciences at Heriot-Watt University. I hold a Ph.D. in Chemical and Biological Engineering from Drexel University, where my doctoral research focused on the molecular simulation of epoxy–amido amine thermoset systems. Since then, I have built a broad research portfolio spanning molecular dynamics, coarse-graining of polymers, resin viscosity, and process modeling and optimization.

Over the past several years, I have held research associate positions at **KTH Royal Institute of Technology (Sweden)**and the University of Bath (UK), working on computational modeling of polymers and porous materials. My current work focuses on the molecular simulation of thermosets and semifluorinated polymer membranes, with an emphasis on linking atomistic insights to materials performance.

Methodologically, I bring expertise in a wide range of simulation platforms (LAMMPS, GROMACS, AMBER, DLPOLY, HOOMD, NAMD) as well as process simulation tools such as HYSYS and ASPEN. I have also developed specialized algorithms and post-processing codes to accelerate crosslinking simulations, convert molecular file formats, and analyze atomic trajectories, several of which are shared openly on my GitHub.

My publications include contributions in Soft Matter, Computational Materials Science, European Polymer Journal, Journal of Membrane Science, and Cellulose, and my research has been recognized with awards such as the Bhagyalakshmi Krishna Iyengar Award for Best M.S. Thesis and the ISTE–IPCL National Award for Best M.S. Thesis at IIT Madras.

I am particularly interested in collaborations that connect molecular simulations with experimental studies in polymers and soft materials, and in applying computational tools to address challenges in sustainability, energy materials, and advanced manufacturing.

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Skills

  • LAMMPS
  • GROMACS
  • Machine Learning
  • free energy calculations
  • Molecular Dynamics
  • multi-scale modelling
  • optimisation strategies

Interests

  • Molecular Dynamics Simulations
  • polymer physics
  • cellulose
  • lignin
  • Clay

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