Research interests →
How automated exploration and machine learning help us find and understand molecules and reactions.
Publications ↗Computational chemistry · molecular discovery
A. Anoop
Anoop Ayyappan · Professor and computational chemist
Digital University Kerala
I develop computational methods to discover molecular structures and chemical reactions, combining quantum chemistry with automated search and machine learning. Here you can explore my research interests, teaching and writing, or find the work of our group at AnoopLab.
Explore my work
Research, teaching and academic life—from the questions I investigate to the courses I teach and the ideas I write about.
Teaching →
Courses in chemistry, computation and data science at Digital University Kerala and IIT Kharagpur.
Talks and academic activities →AnoopLab ↗
Meet our research group and explore its projects, collaborations and scientific software.
Code on GitHub ↗Recent writing
Notes and essays on computational chemistry, scientific machine learning, research practice, education and institutions.
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A Small Piece of the Web of Your Own
A personal history of academic website making—from HTML and Drupal to Hugo, GitHub Pages and AI—and why academics should have a space of their own on the web.
Get in touch
For research conversations, teaching enquiries or invitations, email anoop.a@duk.ac.in.
School of Digital Sciences · Digital University Kerala
Thiruvananthapuram, Kerala, India