Nitik Bhatia

Nitik Bhatia is a Researcher at the Technical University of Munich (TUM) within the Chair of AI-based Materials Science led by Prof. Patrick Rinke. He is affiliated with the Department of Physics PH-I in the TUM School of Natural Sciences, based at Lichtenbergstr. 4 in Garching bei München, Germany.

His research centers on Machine Learning in Materials Science and Electronic Structure Theory, with specialized expertise in Infrared Spectroscopy and Computational Chemistry. He develops AI-driven methods for molecular property prediction, focusing on accelerating materials discovery through data-driven approaches and molecular simulation techniques.

Recent 2025 publications demonstrate his leadership in creating foundation models (MACE4IR) and active learning frameworks for infrared spectra prediction, establishing clear trends in AI-enhanced spectroscopic analysis and interatomic potential development within materials informatics.

Bhatia operates within TUM's Chair of AI-based Materials Science, a research unit specializing in Electronic Structure Theory Development, Machine Learning for Biomaterials, and AI applications in Atmospheric Science and Clean Energy materials.