Computational Chemistry and Molecular Discovery
Professor, Digital University Kerala
I work in computational chemistry and molecular discovery, with interests spanning chemical space exploration, molecular and nanocluster structure prediction, reaction discovery, and methods that connect machine learning with quantum chemistry. My group develops automated, reliable workflows for exploring structures, properties, and reactivity across complex chemical systems.
Applications are welcome from candidates with an interest in computational chemistry and machine learning who wish to pursue doctoral research at Digital University Kerala, Thiruvananthapuram, Kerala.
Computational chemistry across structure, reactivity, and molecular discovery.
My research brings together molecular structure prediction, reaction discovery, and method development in computational chemistry. A recurring theme is to replace ad hoc exploration with automated workflows that generate candidates systematically, optimise them globally, accelerate search with machine learning where helpful, and return to quantum chemistry for chemically meaningful validation.
A curated mix of recent papers and representative earlier work.
Conferences, invited talks, and teaching-focused workshops.
A compact view of recurring conference participation, invited talks, and workshop-led teaching activity.
Recurring participation in theoretical and computational chemistry meetings through conference attendance, talks, invited contributions, and chairing roles.
Theoretical Chemistry Symposium
World Association of Theoretical and Computational Chemists
Society of Physical Chemistry Symposium
Asia-Pacific theoretical and computational chemistry meetings
Machine learning and molecular-sciences meetings
Invitations from colleges and academic institutions for lectures and interactions with students and faculty.
Teaching-oriented engagements focused on computation, methods, and training.
A shorter professional profile with the essentials surfaced first