Automated chemical exploration
Methods for exploring molecular structures, reaction pathways and complex chemical spaces with less manual bias.
Computational chemistry · molecular discovery
A. Anoop
Professor and computational chemist
The research programme I guide focuses on automated chemical exploration, molecular discovery and carefully validated scientific machine learning. I also write about teaching, universities and academic life.
Research and academic interests
Our research sits where chemical reasoning, computation and scientific practice meet. The methods matter, but the scientific question comes first.
Scientific machine learning
Machine-learning systems that remain interpretable, chemically grounded and useful beyond benchmark performance.
Academic practice
Teaching, research culture, university governance and the institutional conditions under which knowledge is produced.
Where the work lives
This site holds my perspective and writing. Group research, software and official records each have their own place.
AnoopLab ↗
Research programme, people, projects, publications and opportunities.
GitHub ↗
Scientific software, datasets, documentation and active development.
DUK profile ↗
The official institutional record of my position, teaching and academic work.
Recent writing
Notes and essays on computational chemistry, scientific machine learning, research practice, education and institutions.
The first essays are being prepared.
Profiles and contact
For publications, identifiers and professional connections, use the source most appropriate to what you are looking for.