In an era where the world’s toughest challenges demand solutions at the smallest scales, Ananth Govind Rajan stands out as a scientist shaping the future through precision, imagination, and purpose.
Ananth Govind Rajan: Academic Journey – From IIT Delhi to MIT to IISc
The academic path of Ananth Govind Rajan reflects both excellence and intent. He began his journey at IIT Delhi, earning his B.Tech. in Chemical Engineering in 2013 and graduating with the Institute Silver Medal, a testament to his early brilliance.
Driven by a desire to explore science at deeper levels, he moved to the Massachusetts Institute of Technology (MIT), where he completed his M.S. in Chemical Engineering Practice (2015) and Ph.D. in Chemical Engineering (2019). At MIT, he cultivated a rare blend of rigorous theory and practical insight, working on problems that connected quantum-scale physics with real-world engineering outcomes.
In September 2025, his academic contributions were formally recognized when he was promoted to Associate Professor at IISc, marking a significant milestone in a career defined by steady, meaningful impact.
The AGR Group: Where Computation Meets Discovery
At IISc, Ananth Govind Rajan leads the AGR Group, a research team devoted to computational nanotechnology and materials discovery. The group specializes in understanding and engineering matter at the nanoscale, where classical rules break down and new possibilities emerge.
The AGR Group operates at the water–energy–carbon nexus, using computation not just to analyze materials, but to predict, design, and optimize them before they are ever synthesized in a laboratory.
Core Research Focus Areas
- Molecular simulations of nanofluidic phenomena and nanoscale transport
- Machine learning models for materials systems and catalyst discovery
- Two-dimensional (2D) materials such as graphene and hexagonal boron nitride (hBN)
- Applications in seawater desalination, energy storage, and carbon conversion
Ananth Govind Rajan: Redefining Materials Discovery with Machine Learning
One of the most distinctive aspects of Ananth Govind Rajan’s research is his use of machine learning as a scientific partner rather than a black box. His group recently developed a novel “language” for machine learning models that enables accurate prediction of nanopore properties—an achievement published in the Journal of the American Chemical Society.
This work represents a shift in how materials science is conducted. Instead of relying solely on trial-and-error experimentation, Ananth Govind Rajan’s approach allows researchers to rapidly explore vast design spaces, accelerating innovation while reducing cost and resource consumption.
Computational Tools Powering Real-World Impact
The research led by Ananth Govind Rajan is grounded in a powerful computational toolkit:
- Density Functional Theory (DFT): To understand materials at the quantum level by approximating solutions to Schrödinger’s equation
- Molecular Dynamics (MD): To predict time-evolving behavior of molecular systems using classical mechanics
- Kinetic Monte Carlo Methods: To model atomistic dynamics based on reaction probabilities and rates
By integrating these methods with data-driven machine learning models, his work bridges fundamental physics and applied chemical engineering.
Applications That Matter: Water, Energy, and Carbon
The true strength of Ananth Govind Rajan’s work lies in its relevance. His research directly addresses some of humanity’s most pressing needs:
- Clean Water: Designing next-generation membranes for desalination and water purification
- Clean Energy: Advancing catalysts for electrochemical water splitting and sustainable hydrogen production
- Carbon Conversion: Developing materials for efficient carbon dioxide reduction into valuable chemicals
- Advanced Manufacturing: Modeling controlled synthesis of 2D materials via chemical vapor deposition
Each project reflects a philosophy that science must serve society, not just journals.
Teaching Excellence and Academic Leadership
Beyond the laboratory, Ananth Govind Rajan is a deeply committed educator. In March 2025, he received the Prof. Priti Shankar Teaching Award for Assistant Professors in Engineering at IISc, recognizing his ability to inspire, mentor, and challenge students.
His teaching blends conceptual clarity with research-driven learning, preparing students not just to understand existing knowledge, but to create new knowledge.
Ananth Govind Rajan: Recognitions and Honors
The growing influence of Ananth Govind Rajan is reflected in his many honors:
- Associate, Indian Academy of Sciences (effective 2024)
- Young Associate, Indian National Academy of Engineering
- Infosys Young Investigator Award
- Amar-Dye Chem Award, Indian Institute of Chemical Engineers
- MRS Communications Early Career Distinguished Presenter, MRS Fall Meeting 2025
- 2023 Class of Influential Researchers, Industrial & Engineering Chemistry Research
- GOLD Award, IIT Delhi
- Carbon Nanomaterials Graduate Student Award, AIChE
- Rosemary J. Wojtowicz Award, MIT