Dr. Thirumoorthy K

Designation : Associate Professor Grade 2
School / Centre : School of Computer Science and Engineering
Department : Analytics

Educational Details

University of Kalyani, West Bengal, India

Ph.D.
Computational Chemistry
Graduated in 2009

Madurai Kamaraj University, Madurai, Tamil Nadu, India

M.Sc.
Chemistry
Graduated in 2002

The American College, Madurai, Tamil Nadu, India

B.Sc.
Chemistry
Graduated in 2000

Vellore Institute of Technology, Vellore, Tamil Nadu, India

MTech
Computer Science and Engineering, Specialization in Artificial Intelligence and Machine Learning
Graduated in 2025

Post Doctoral Experiences

The Ohio State University-Medical Center, Department of Radiation Oncology, Columbus, OH, USA (July 2010 – June 2013) and California State University, Department of Mathematics and Computer Science, East Bay, Hayward, CA, USA (July 2009 - June 2010); Predoctoral Experiences: Senior Research Fellow, University of Kalyani, Department of Chemistry, West Bengal, India (January 2008 - April 2009), Senior Research Fellow, Birla Institute of Technology and Science (BITS), Chemistry Group, Pilani, Rajasthan, India (January 2005 - December 2007), Project Assistant, National Chemical Laboratory (NCL), Catalysis Division, Pune, India (July 2003 - December 2004), Project Assistant, Madurai Kamaraj University (MKU), School of Chemistry, Madurai, India (July 2002 - June 2003)


Research Details

Areas of Specialization
  • Computational chemistry
  • Computational Cancer Biology
  • Astrochemistry and Astrobiology
  • AI/ML/DL in Drug Design and Discovery
  • Cheminformatics
  • Metabolomics

: 20
: 41

Completed Funded Project Details

Title Funding Agency
1. Computational Chemistry Modeling for Delineating the Metabolite’s Chirality Driven Cancer Progression Role: Principal-Investigator DST/SERB/YSRS
2. Linear, X- And Y-Shaped Borasiloxanes Derived from Ferrocene-Conjugated Boronic Acids: Structural, Electrochemical, Luminescence, Non-Linear Optical and DFT Studies, Role: Co-Investigator DST/SERB/EMR
3. Aromatic and Y-shaped Heteroaromatic Donor subunits in Borasiloxane Rings/Cages: Structural, Luminescence, Nonlinear Optical and DFT Studies , Role: Co-Investigator CSIR/EMR
4. Ferrocene Conjugated Y-Shaped Chromophores as Potential Sensitizers in Dye Sensitized Solar Cells with Innovative Redox Mediators, Role: Co-Investigator DST/ Indo-Italian Significant Bilateral Project
5. Discovering substrate-assisted catalysis mechanism of oncometabolite formation in wild type and mutant IDH1/IDH2 enzyme, Role: Principal-Investigator DST/NSM/R&D-HPC

Books / Book Chapters Published Details

Title Publisher Published Year
Chirality and Molecular Interactions: Computational Chemistry Perspective from Biomimetics to Biology, Lap Lambert Academic Publishing, Germany, 2010 (ISBN-13:978- 3-8433-5686-2) Lambert Academic Publishing, Germany 2010
Chirality and dipolar interactions of membrane mimetic amphiphilic molecules, Structure and Dynamics of Membranous Interfaces, 2008, (ISBN:9780470388495) Wiley Online Library 2008

Awards & Recognitions Details

  • 1. DST/Young Scientist Research award (September 2015)
  • 2. Qualified in the joint CSIR/UGC/JRF/LS-NET (National Eligibility Test) (June 2002)
  • 3. Qualified GATE (Graduate Aptitude Test in Engineering) examination conducted by Indian Institute of Science and Indian Institute of Technology (February 2002)
  • 4. Awarded a Summer Project Fellowship, Indian Academy of Sciences, Bangalore, India (June 2001)

International Collaborations

  • San Diego State University, California, United States
  • Universiti Sains Malaysia

Other Information

Editorial Experience : Guest Editor - Special issue in atoms