Nikhil Avula
Machine learning molecular dynamics
Max Planck Institute for Polymer Research
Max Planck Institute for Polymer Research
Main Focus
Nikhil’s research interests include:
- Liquids: Developing classical and ML interatomic potentials to understand structure and transport in liquid electrolytes.
- Amorphous Materials: Employing MLIPs and generative models to predict accurate structures of oxide glasses (e.g., B₂O₃).
- Chemical Reactions: Developing protocols and models to benchmark and study reactions in liquid solutions.
When not coding or running simulations, Nikhil is either reading 19th- and 20th-century history or thinking about his undergraduate days constructing autonomous robots. Having previously hiked the Himalayas and Western Ghats, he is now actively planning his next trekking adventures across Germany.
Curriculum Vitae
Nikhil Avula joined the group of Prof. Gábor Csányi as a Postdoctoral Researcher in March 2026. He completed his undergraduate studies in Materials Engineering at IIT Madras, followed by a Master's and PhD in Materials Science at JNCASR Bangalore under the supervision of Prof. Balasubramanian Sundaram.