T K Manojkumar, currently serving as Dean(R) and Professor at the School of Digital Sciences and Innovation in Thiruvananthapuram. He is having 5 years of post-doctoral research experience in prestigious institutions like IIT-Madras and Pohang University of Science & Technology, Korea. With an impressive 17-year track record in post-graduate teaching,

Manoj has imparted knowledge across a diverse range of subjects including Data Analytics, Deep Learning, Computational Sciences, Predictive Analytics, Big data technologies and Cloud computing,  Discrete mathematics, Ordinary differential Equations, Automata, Data Structure and Algorithm, Artificial Intelligence, and Quantum Chemistry. Their scholarly contributions extend to 80 publications in international journals of high impact, marking a significant impact in their respective fields.

As a proactive contributor to academic discourse, Manoj has coordinated 30 seminars, conferences, and workshops, with a focus on computational chemistry and drug design, enriching our academic community with their insights. Engaging globally, he delivered 35 invited talks, shedding light on his ground-breaking research endeavours. Manoj’s commitment to innovation is evident through initiatives such as the computational chemistry portal, which revolutionized e-learning. Proficient in e-learning systems and High-Performance Computing Clusters, Manoj has spearheaded the design of more than 10 courses and managed 15 major research/implementation projects exceeding 10 Cr. Holding key administrative roles such as Chair of the School of Digital Sciences; Registrar, Digital University of Kerala; Registrar, Indian Institute of Information Technology and Management – Kerala and Director of the International Centre for Free and Open Source Systems.

Google Scholar: https://scholar.google.com/citations?user=PVrL7SMAAAAJ&hl=en

 PhD in Chemistry (Computational Chemistry), M G University, 2000

• Currently working as Professor at DUK  & IIITMK 
• Post-Doctoral Research Scientist: POSTECH, Korea, IIT-Madras

1. Domain-Adapted Discovery of PET Depolymerisation Routes Using In-house Curated Scientific Literature and Experimental Validation;Chemical Communications; 2026;Royal Society of Chemistry
2. Identification of high-affinity molecules from Sesbania grandiflora as potential therapeutic agents for oral ulcers-A multi-target-directed in silico approach;Journal of the Indian Chemical Society;102;5;101674;2025;Elsevier
3. Complex network-based multistep forecasting model for hyperchaotic time series;Physical Review E;110;4;44302;2024;American Physical Society
4. Molecular docking and simulation studies of some pyrazolone-based bioactive ligands targeting the NF-κ B signaling pathways;Molecular Diversity;28;3;1459-1469;2024;Springer
5. Spatial prediction of soil micronutrients using supervised self-organizing maps;Journal of Agriculture and Food Research;15;;101033;2024;Elsevier
   
   
6. A NOVEL ENSEMBLE METHOD FOR SPATIAL PREDICTION OF SOIL ORGANIC CARBON; Journal of Data Acquisition and Processing;38;2;3625-3637;2023;SCIENCE PRESS
7. Citation network analysis of geostatistical and machine learning based spatial prediction;Spatial Information Research;31;6;625-636;2023;Springer
8. Identification of potent ABL inhibitors from coumestrol: An integrative in silico approach;Journal of Computational Biophysics and Chemistry;21;8;967-979;2022;World Scientific Publishing Company
9. Molecular simulations of CRANADs to disclose a specific cyanide sensor in aqueous media;Computational and Theoretical Chemistry;1217;;113894;2022;Elsevier
10. Potential drug leads for SARS-CoV2 from phytochemicals of Aerva lanata: a Machine Learning approach;VirusDisease;32;4;757-765;2021;Springer India
11. THOMAS (AM), SHERIN (DR), ASHA (S), MANOJKUMAR (TK), ANILKUMAR (G), Exploration of the mechanism and scope of the CuI/DABCO catalysed CS coupling reaction, Polyhedron, Accepted for publication, 2020
12. ARYA (JS), JOSEPH (MM), SHERIN (DR), NAIR (JB), MANOJKUMAR (TK), MAITI (KK), Exploring Mitochondria-Mediated Intrinsic Apoptosis by New Phytochemical Entities: An Explicit Observation of Cytochrome c Dynamics on Lung and Melanoma Cancer Cells, Journal of Medicinal Chemistry, ACS Publications; 8311-8329; Aug 2019
13. AKHILA (VR), PRIYA (MR), SHERIN (DR), KRISHNAPRIYA (GK), KEERTHI (SV), MANOJKUMAR (TK), RAJASEKHARAN (KN), Mechanochemical Synthesis, in vitroEvaluation and Molecular Docking Studies of 4-Amino-2-arylamino-5-(benzofuran-2-oyl) thiazoles as Antidiabetic Agents, Letters in Organic Chemistry 16; 560-568; 2019
14. SHERIN (DR), GEETHU (CK), PRABHAKARAN (J), MANN (JJ), KUMAR (JD), MANOJKUMAR (TK), Molecular docking, dynamics simulations and 3D-QSAR modeling of arylpiperazine derivatives of 3, 5-dioxo-(2H, 4H)-1, 2, 4-triazine as 5-HT1AR agonists, Computational biology and chemistry, Elsevier 78; 108-115;2019
15. PRABHA (B), SINI (S), SHERIN (DR), NEETHU (S), RAMESHKUMAR (KB), MANOJKUMAR (TK), JAYAMURTHY (P), RADHAKRISHNAN (KV), Promalabaricone B from Myristica fatua Houtt. seeds demonstrate antidiabetic potential by modulating glucose uptake via the upregulation of AMPK in L6 myotubes, Natural product research, Taylor & Francis; 1-6; 2019
16. PRABHA (B), NEETHU (S), KRISHNAN (SL), SHERIN (DR), MADHUKRISHNAN (M), ANANTHAKRISHNAN (R), RAMESHKUMAR (KB), MANOJKUMAR (TK), JAYAMURTHY (P), RADHAKRISHNAN (KV), Antidiabetic potential of phytochemicals isolated from the stem bark of Myristica fatua Houtt. var. magnifica (Bedd.) Sinclair, Bioorganic & medicinal chemistry Elsevier 26; 3461-3467;26(12); 2018
17. RAMESAN (MT), JAYAKRISHNAN (P), MANOJKUMAR (TK), MATHEW (G), Structural, mechanical and electrical properties biopolymer blend nanocomposites derived from poly (vinyl alcohol)/cashew gum/magnetite, Materials Research Express 5(1):015308; 2018
18. SHERIN DR, MANOJKUMAR (TK), RAJASEKHARAN KN, Logic Operations Based on Analyte Response of CRANAD‐1: A Simple Molecular Switch Acts as Acid‐Base Sensor, ChemistrySelect. 3(1):170-5; 2018
19. SUNNY (CM), NITHYA (S), SINSHI (KS), VINODINI (MV), LAKSHMI (KA), ANJANA (S), MANOJKUMAR (TK), Forecasting of Road Accident in Kerala: A Case Study, International Conference on Data Science and Engineering (ICDSE) IEEE; 1-5; 2018
20. ARUN (PS), MANOJKUMAR (TK), NAIR (RB), ARCHANA (SR), SHIBLI (SM), An ONIOM Study of Catalytically Active Brønsted Acid Sites of ZSM-5, Asian Journal of Chemistry, 30(4):933; 2018
21. RAGHI (KR), SHERIN (DR), SAUMYA MJ, ARUN (PS), SOBHA (VN), MANOJKUMAR (TK), Computational study of molecular electrostatic potential, docking and dynamics simulations of gallic acid derivatives as ABL inhibitors, Computational biology and chemistry, 74:239-46; 2018
22. JAMES (AR), UNNIKRISHNAN (BS), PRIYA (R), JOSEPH (MM), MANOJKUMAR (TK), RAVEENDRAN PILLAI (K), SHIJI (R), PREETHI (GU), KUSUMAKUMARY (P), SREELEKHA (TT), Computational and mechanistic studies on the effect of galactoxyloglucan: Imatinib nanoconjugate in imatinib resistant K562 cells, Tumor Biology, 39(3); 2017
23. JOSEPH (MM), ASWATHY (G), MANOJKUMAR (TK), SREELEKHA (TT), Galactoxyloglucan-doxorubicin nanoparticles exerts superior cytotoxic effects on cancer cells A mechanistic and in silico approach, International journal of biological macromolecules, 92:20-9; 2016
24. MOHAN (MG), RAVEENDRAN (T), MANOJKUMAR (TK), RAJAGOPAL (P), MANOJ (P), Theoretical study of pyrene based oligomers for organic solar cells, International Conference on Electrical, Electronics, and Optimization Techniques, (ICEEOT) 4639-4641; 2016
25. KUMAR (RA), ASLAM (MM), RAJ (VJ), RADHAKRISHNAN (T), KUMAR (KS), MANOJKUMAR (TK), A statistical analysis of soil fertility of Thrissur district, Kerala, International Conference on Data Science and Engineering (ICDSE) IEEE; 1-5; 2016
26. MOHAMED (AV), KHADER (AMA), ARUN (PS), PANICKER (Y), MANOJKUMAR (TK), Computational and Experimental Studies of Ni(II) and Co(II) Complexes of 1,3,4 – Oxadiazole Derivatives, The Chemist, 88(2); 2016
27. SHERIN (DR), MANOJKUMAR (TK), RAJASEKHARAN (KN), CRANAD-1 as a cyanide sensor in aqueous media: a theoretical study, RSC Advances, 6;99385-99390; 2016
28. ULAHANNAN (RT), PANICKER (CY), VARGHESE (HT), MUSIOL (R), JAMPILEK (J), VAN ALSENOY (C), WAR (JA), MANOJKUMAR (TK), Vibrational spectroscopic studies and molecular docking study of 2-[(E)-2-phenylethenyl] quinoline-5-carboxylic acid, Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 150:190-9; Nov 2015
29. RUN (PS), NAIR (LS), MANOGARAN (K), VINODINI (V), MANOJKUMAR (TK), Exploration of carboxyl functionalized eugenol for preventing metastasis of pancreatic cancer, International Conference on Advances in Computing, Communications and Informatics (ICACCI) ,339-342; 2015
30. NAIR (BP), MANOJKUMAR (TK), SREEDHAR (KM), MOHAMED (AV), HUKUMAN (Z), Pyranone Benzene complexes as potential nano-flippers: A DFT study, International Conference on Advances in Computing, Communications and Informatics (ICACCI) 335-338; 2015
31. PRASANTH (S), VARUGHESE (M), JOSEPH (N), MATHEW (P), MANOJKUMAR (TK), SUDARSANAKUMAR (C), Crystal structure, FT-IR, FT-Raman, 1H NMR and computational study of ethyl 2-{[(Z) 3-(4-chlorophenyl)-3-hydroxy-2-propene-1-thione] amino} acetate, Journal of Molecular Structure Elsevier 1081; 366-374; 2015
    
    

1. “Keto-enol Tautomerism in organic and biochemical reactions: a computational study” DST, Govt of India  20 L
2. “Benzoquinones clusters as potential molecular switches: A Theoretical search” funded by KSCSTE, Govt of Kerala  12 L
3. Identification of potential drugs from Dasapushpam: An Insilico Approach; Kerala Biotechnology Commision, KSCSTE, Govt, of Kerala    4L
4. GST Analytics  
5. Lucky Bill App, GST Department
6. KVATIS, GST Department
7. Knowledge Management System for VSSC  40 L
8. Design, Development and Implementation of Web-based Platform for Historical
9. Data Acquisition and Management, KCHR 98L

Research Activities

• The primary market value innovations of newly public firms
• Keto-enol tautomerism in biological and organic reactions
• Closed Cage Tungsten clusters
• Ab-intio studies of ene reactions
• Studies on Cylophanes
• Quinones in Photosynthetic reaction center
• Quinones in fuel cells

Academic Services

• Dean (HRD) & Dean(Campus Admin), Digital University Kerala 

• Dean(Research)
• Director, International Center for Free and Open Source Software Systems (ICFOSS, Govt. of Kerala)
  
• Registrar, IIITM-K & DUK
• 20+ years teaching PG courses including Deep Learning, Data Analytics, Quantum Chemistry
• Guided 125+ Master’s and 3 Ph.D. scholars
• Designed and coordinated interdisciplinary AI programs

Extramural

• BoG Member, SRIBS, KSCTE, Govt. of Kerala
• Chair, BoS, BSc Data Analytics, SNOU
• Member, BoS, MSc Chemistry, St. Thomas College Pala (Autonomous)

• National e-Governance Award (2023)