Raghunath O. Ramabhadran


Assistant Professor

Department of Chemistry, IISER Tirupati

Email: raghurama [AT] iisertirupati.ac.in

Phone: +91 877 2500 414

Research Interests

Broad Areas of Research

  • Computational & Quantum Chemistry: Developments and Applications in Inorganic, Organic and Physical chemistry.

  • Scientific Pedagogy

Specific Areas of Research

(will constantly be updated, please check back soon!)

  • Computational Prebiotic Chemistry

  • Improvising Classroom Teaching of Introductory Chemistry in College

Education and Employment

  • Ph.D: Indiana University, Bloomington

  • Post-Doctoral Researcher: University of California, Los Angeles

  • Assistant Professor (August, 2015 ~): Indian Institute of Science Education and Research (IISER) Tirupati, India

Selected List of Honours and Awards

  • Early Career Research Award from SERB, DST, Govt. of India

Selected Publications

  • Alison, R. H. Narayan, Gonzalo Jimenez-Oses, Peng Liu, Solymer Negretti, Wanxiang Zhao, Michael. M. Gilbert, Raghunath O. Ramabhadran, Lawrence R. Furan, Zhe Li, Yun-Fang Yang, Michael M. Gilbert, Larrissa M. Podust, John Montgomery, Kendall N. Houk, David H. Sherman, "Enzymatic Hydroxylation of an Unactivated Methylene CH Bond Guided by Molecular Dynamics Simulations", Nature Chemistry 7, 653-660 (2015).

  • Raghunath O. Ramabhadran, Krishnan Raghavachari, "The Successful Merger of Theoretical Thermochemistry and Fragment-Based Methods in Quantum Chemistry", Accounts of Chemical Research 47, 3596-3604 (2014).

  • Raghunath O. Ramabhadran, Yun Liu, Yuran Hua, Moira Ciardi, Amar H. Flood, Krishnan Raghavachari, "An Overlooked yet Ubiquitous Bifluoride Congenitor: Binding Bifluoride in Triazolophanes using Computer-Aided Design", Journal of the American Chemical Society 136, 5078-5089 (2014).

  • Raghunath O. Ramabhadran, Jennifer E. Mann, Sarah E. Waller, David W. Rothgeb, Caroline C. Jarrold, Krishnan Raghavachari, "New Insights on Photocatalytic H2 Liberation from Water Using Transition Metal oxides: Lessons from Cluster Models", Journal of The American Chemical Society 135, 17039-17051 (2013).

  • Raghunath O. Ramabhadran, Krishnan Raghavachari, "Extrapolation to the Gold-Standard in Quantum Chemistry: Computationally Efficient and Accurate CCSD(T) Energies for Large Molecules using an Automated Thermochemical Hierarchy", Journal of Chemical Theory and Computation 9, 3986-3994 (2013).


  • CHM-111: General Chemistry

  • IDC-111: Introduction to Computer Programming and Numerical Analysis

  • CHM-121: Physical Chemistry

  • CHM-211: Inorganic Chemistry

  • CHM-212: Inorganic Chemistry Lab

Open Positions

Will be updated soon

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  Last Modified : 22 March 2019 UTC 3:03pm