Area of interest
- Theoretical chemistry
- Computational nanoscience
Invited Talks (on Computational Chemistry and its applications)
- 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)
- College Govt. Victoria College, Palakkad (January, 2017)
- College, Govt. College Chittur (December, 2016)
- 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)
- College, Pattambi (February, 2016)
- St. Thomas College, Thrissur (October, 2015)
- SN College, Ala, Chengannuur (December, 2014)
- St. John’s College, Anchal, Kollam (November, 2014).
- 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, 5(3),112 (2017).
- 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).
- 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).
- 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).
- 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).
- A computational study of cation-Pi 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).Current Research
1] DJmol: An object-oriented modeling platform for ab initio simulations in chemistry and materials science. This open source project is financially
supported by Indo-Korea Science and Technology Centre, Bangalore (ongoing).2] PyBethe: An open source, python package for computational group theory for molecules and solids (in association with GSI, Friedrich-Schiller Universität, Germany; ongoing)3] Apart from these projects, a theoretical study on atomic radii of elements (from H to Cm, by including (scalar-)relativistic correction with Hartree-Fock, post-HF and DFT methods) is carried out (in association with Department of Chemistry, University of Calicut)
- Teaching: 4