Prof. Anoop Ayyappan

Prof. Anoop Ayyappan is currently a Professor at Kerala University of Digital Sciences, Innovation and Technology. Prior to his engagement at the Kerala University of Digital Sciences, Innovation and Technology, he served at the Indian Institute of Technology Kharagpur as Assistant Professor (2010–2016) and Associate Professor (2016–2023). He carried out postdoctoral research with Prof. Frank Neese at the University of Bonn (2009–2010) and with Prof. Walter Thiel at the Max Planck Institute for Coal Research, Mülheim (2006–2009). Dr. Ayyappan earned his PhD under the supervision of Prof. E. D. Jemmis at the University of Hyderabad, following an MSc in Chemistry from Mahatma Gandhi University. He currently serves as Subject/Associate Editor for the Journal of Molecular Graphics and Modelling and the Indian Journal of Chemistry. He is a member of the National Academy of Sciences, India (NASI), the Chemical Research Society of India (CRSI), and the World Association of Theoretical and Computational Chemists (WATOC). His research interests lie in theoretical and computational chemistry, with a focus on molecular clusters, reaction mechanisms, and potential energy surface exploration. He is particularly interested in algorithmic and automated approaches to structure generation and in integrating computation, data, and emerging AI methods into chemical research workflows.