Dr. Krishnamohan G.P.

Associate Professor

Employee Code / ID No. 10715034
Qualifications PhD, PostDoc
Orcid ID 0000-0001-7002-4137
Industry / R & D Experience 1 year in Cycloides (Technopark) as a Scientific Consultant
Email ID [email protected]
Alternate E-mail ID [email protected]
Mobile No (Optional) / Intercom Extension No. 705
Areas of Interest / Current Research Computational Materials Science, Theoretical Chemistry
Research,  Consultancy, Publication Consultant of a project (for Indo-Korea Science and Technology center, Bangalore) – Publications – SEE BELOW


  • Experimental and Theoretical Investigation of Degradation Activity of Layered Two-Dimensional MoS2-ZnS Nanocomposites, Susmi Anna Thomas, G. P. Krishnamohan, R. S. Rimal Isaac, Jayesh Cherusseri and Arun Aravind.
    ECS J. Solid State Sci. Technol., 12, 055004 (2023, SCI indexed).
    DOI 10.1149/2162-8777/acd144.
  • Molecular Dynamics of Carbon Capture from the Emissions of an IC Engine Using ZSM-5, in ‘Advances in Multidisciplinary Analysis and Optimization -Lecture Notes in Mechanical Engineering’, Springer, Singapore, ISBN 978-981-19-3937-2 (September 2022, Book chart).
  • Exploring Potential Energy Surface with Mathematica: An Algorithmic Demonstration of Minimum Energy Path, Stationary Points and Transition State Krishnamohan G. P. , Omar H., Sreeja T. D., Roy K. B., World Journal of Chemical Education. 2022, 10(4), 124-130. (Scopus Indexed)
  • Theoretical Atomic Radii of Elements (H-Cm): A Non-Relativistic Study with Gaussian Basis Set Using HF, Post-HF and DFT Methods, G. P. Krishnamohan, Sooraj Sunil, Ajith Kumar, Jamesh Joseph, ChemRxiv (2021).
  • DJMol: An open-source modeling platform for computational chemistry and materials science with a Python interpreter, G. P. Krishnamohan, R. Sunil, K. Gupta, SC Lee, J. Comput. Chem., 42, 2116 (2021).
  • DJMol – A Generic Open source Modeling Platform for Computational Materials Science and Chemistry, published by IKST (Indo-Korea Science and Technology Center, Bangalore), authored by G. P. Krishnamohan, R. Sunil, K. Gupta, S. C. Lee (2020; Printed Book ISBN: 978-9354-071041).
  •  Modeling of Ionization Energy of Elements Using Hartree-Fock Method: An Introduction to Computational Quantum Chemistry for Undergraduate Students, G. P. Krishnamohan, T. Mathew, S. Saju, J. T. Joseph, World Journal of Chemical Education (Scopus Indexed), 5(3),112 (2017). (This paper became one of the most read articles in this Educational Journal)
  •  Towards an understanding of the vibrational mode specificity for dissociative chemisorption of CH4 on Ni(111): a 15 dimensional study, G. P. Krishnamohan, R. A. Olsen, Á. Valdés, and G. J. Kroes, Phys. Chem. Chem. Phys., 12, 7654 (2010). (SCI indexed)
  • Quantum dynamics of dissociative chemisorption of CH4 on Ni(111): Influence of the bending vibration, G. P. Krishnamohan, R. A. Olsen, G. J. Kroes, F. Gatti, and S. Woittequand, J. Chem. Phys., 113, 144308 (2010).(SCI indexed)
  • Reactive and nonreactive scattering of N2 from Ru(0001): A six-dimensional adiabatic study, C.  Díaz, J. K. Vincent, G. P. Krishnamohan, R. A. Olsen, G. J. Kroes, K. Honkala, and J. K. Nørskov, J. Chem. Phys, 125, 114706 (2006).(SCI indexed)
  • Multidimensional effects on dissociation of N2 on Ru(0001), C. Díaz, J. K. Vincent, G. P Krishnamohan, R. A. Olsen, G. J. Kroes, K. Honkala, and J. K. Nørskov, Phys. Rev. Lett., 96, 96102 (2006).(SCI indexed)
  • A computational study of cation-p interaction in polycyclic systems: exploring the dependence on the curvature and electronic factors, U. Devapriyakumar, M. Punnagai, G. P. Krishnamohan, and G. N. Sastry, Tetrahedron, 60, 3037 (2004).(SCI indexed)

Invited Talks :

  • Barton Hill Engineering College (May, 2022)
  • Mar Ivanios College, Trivandrum (January, 2020)
  • Noorul Islam deemed university, Kanyakumari (April, 2019)
  • S.N. Govt. Sanskrit College, Pattambi, Palakkad (February, 2019)
  •  Government College for Women, Trivandrum (December, 2018)
  • Majlis Arts and Science College, Malappuram (December, 2018)
  • Catholicate College, Pathanamthitta (January, 2018)
  •  Maharaja’s College Ernakulam (March, 2018)
  • Malabar Christian College, Calicut (May, 2017)
  • Mar Ivanios College, Trivandrum (March, 2017)
  • Govt. College (Victoria), Palakkad (January, 2017)
  • Govt. College, Chittur (January, 2017)
  • GSI, Universität Jena, Germany (December, 2016)
  • Indo-Korea Science and Technology Centre, Bangalore (September, 2016)
  • BCCMS, Universität Bremen, Germany (April, 2016)
  •  S.N. Govt. Sanskrit College, Pattambi, Palakkad (February, 2016)
  •  St. Thomas College, Thrissur (October, 2015)
  • S.N. College, Ala, Chengannuur (December, 2014)
  • St. John’s College, Anchal, Kollam (November, 2014).
Ph.D Research Guidance ( Research Scholar, E-mail ID, Research Topic/ Tentative Thesis Tittle) Approved Research Guideship from KTU(In Chemistry (Computational Chemistry and Computational Nano Science))
Academic / Professional Outreach Activities 20+ Invited Talks on Computational Chemistry and its Application (See Below)

M.Sc Project Guided :3 (Molecular Modelling)

B.Tech Project Final Year Guided : 3 Batches in Mechanical Engineering. (Molecular Modeling)

Internship (S2) in Computer Science : 1 Batch

Membership in Professional bodies/ organizations Computer Society of India
Community Outreach Activities Published an Open Source Software (peer reviewed):https://djmolprogram.github.io/
Awards / Distinctions / Rank / Other Achievements if any
  • * PhD, PostDoc scholarships, NVIDIA’s start-up research endowment for young researchers (2014), Google’s academic research program credits, Visiting research fellowship from University of Jena and University of Bremen (Germany); Government of India (SERB) Research Grant for young researchers (2014) Vakkom Maoulavi Foundation Merit Award (2022)
  • Dr. Krishna Mohan G.P. has been selected for GCP (Google Cloud Platform) research credits for his project, “DJMol – an Opensource (GPL) Modeling Platform for Computational Materials Science”. The GCP research credits program provides credits exclusively for researchers to use Google Cloud Platform services such as cloud storage, compute, and big data analysis.