Dr. Thirumoorthy K

Designation : Associate Professor Grade 1
School / Centre : School of Advanced Sciences
Department : Chemistry

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

Post Doctoral Experiences

California State University, Department of Mathematics and Computer Science, East Bay, Hayward, CA, USA (July 2009 - June 2010); The Ohio State University-Medical Center, Department of Radiation Oncology, Columbus, OH, USA (July 2010 – June 2013)


Research Details

Areas of Specialization
  • Computational chemistry
  • Computational Cancer Biology
  • Astrochemistry and Astrobiology

: 18
: 31

Ongoing Funded Project Details

Title Funding Agency
Discovering substrate-assisted catalysis mechanism of oncometabolite formation in wild type and mutant IDH1/IDH2 enzyme using QM/MM calculations-DST/NSM/R&D_HPC_Applications DST under National Supercomputing Mission

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) DST/SERB/YSRS
Linear, X- And Y-Shaped Borasiloxanes Derived from Ferrocene-Conjugated Boronic Acids: Structural, Electrochemical, Luminescence, Non-Linear Optical and DFT Studies (DST/SERB/EMR) 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 (CSIR/EMR) Role: Co-Investigator CSIR/EMR
4. Ferrocene Conjugated Y-Shaped Chromophores as Potential Sensitizers in Dye Sensitized Solar Cells with Innovative Redox Mediators (DST/ Indo-Italian Significant Bilateral Project) Role: Co-Investigator DST/ Indo-Italian Significant Bilateral Project
5. Title: Discovering substrate-assisted catalysis mechanism of oncometabolite formation in wild type and mutant IDH1/IDH2 enzyme using QM/MM calculations Role 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

Other Information

Editorial Experience : Special issue on "Planar Tetracoordinate Carbon—Fifty Years and Beyond", Atoms (MDPI Journal). This special issue belongs to the section "Quantum Chemistry, Computational Chemistry and Molecular Physics", 2021.