DR. V C Saheer

Education

• B.Sc. Chemistry, Sir Syed College (affiliated to Kannur University), Kannur

• M.Sc. Chemistry, Sir Syed College (affiliated to Kannur University), Kannur

• Ph.D, IIT Madras, Tamil Nadu

• State Eligibility Test (SET) for Lectureship 

• National Eligibility Test (NET) for Lectureship 

• Graduate Aptitude Test in Engineering (GATE) in Chemistry

• Junior Research Fellowship (JRF) for research

Area of Specialization

Theoretical Chemistry, Computational Chemistry, Computational Chemical Physics, Molecular Dynamics, Physical Chemistry

Teaching

• CH1CO1 Basic concepts of quantum chemistry and group Theory (Semester-1: 3 Hours/ Week,  Target Students: Post Graduates)                       

• CH2CO5 Applications of quantum mechanics and group theory (Semester-2: 3 Hours/ Week, Target Students: Post Graduates)                                

• CH3CO9 Unit -1&2 Molecular spectroscopy (Semester-3 : 1 Hours/ Week,  Target Students: Post Graduates)                                                                             

• CH4C13 (Unit-3) Introduction to Computational Quantum Chemistry & (Unit- 5) Medicinal Chemistry (Semester- 4 : 1 Hours/ Week,  Target Students: Post Graduates)

• CHE2CO7: Statistical Thermodynamics

See more in my Teaching Page

Certificate Course Offered

Title : Applications of Computer Aided Designs in Science (ACADS)

Target Audience: Chemistry/Physics/Mathematics/Zoology UG & PG Students and Faculties

Click here for Registration                         Click here for Syllabus

Research

• Research Supervisor under University of Calicut.  (See here to download the University order)

• Research Supervisor under Kannur University.  (See here to download the University order)

Research Interests

1)  Time dependent quantum wave packet (TDQWP) dynamics studies:

I am interested in characterizing bound and quasi-bound states of molecular ions (eg: [HO2]+ ) of astrophysical importance. For this work, ground electronic state is used and calculations should be done within the framework of TDQWP method using ground state potential energy surfaces (PESs). The interest of such a study arose due to the detection of bound ions in the interstellar media. Artificial neural networks can also be incorporated to construct the PESs.

 See more in my research page

Research Publications

V C Saheer and Sanjay Kumar, "H++ O2 system revisited: four-state quasidiabatic potential energy surfaces and coupling potentials", J. Chem. Sci,  DOI:https://doi.org/10.1007/s12039-018-1531-3, 2018

V C Saheer and Sanjay Kumar "Ab initio adiabatic and quasidiabatic potential energy surfaces of H++ CO system: A study of the ground and the first three excited electronic states",  The Journal of chemical physics 144 (2), 2016, DOI:https://doi.org/10.1063/1.4939674

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Seminars & Conferences

• Presented a posture on “Adiabatic and Quasidiabatic Potential Energy Surfaces of H++ CO system” in the Theoretical Chemistry Symposium 2010 during December 8-12, 2010 at IIT Kanpur. View more details here.

• Presented a paper on “Nonadiabatic dynamics of H++O2 system using coupled electronic potential energy surfaces” in the international seminar on “Exploring the Molecular Interactions and Dynamics in Complex Systems: Isolated Molecules to Atmospheric Aerosols” organized by Molecular Interactions and Dynamics Group of Gordon Research Conferences at Massachusetts, USA during 8 – 13 July 2018.

• Presented a poster on ““Quantum dynamical studies on elastic and charge transfer processes in H++O2 system” in the Symposium on Chemical Physics 2015 on 6-9 November 2015 at University of Waterloo, Canada. See here for the program details.

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Future Plans in Academics & Research

• Planning to set up technology enhanced teaching including online course management system based teaching (MOODLE)

• Planning to set up high performance computing facility for Computational Chemistry / Medicinal Chemistry research

• Planning for a collaborative network to explore different areas of Science

Familiar Softwares

Molpro : Ab-initio Fortran 90 programs for molecular electronic structurecalculations, designed and maintained by H.-J. Werner and P. J. Knowles

Gaussian/GAMESS : System of programs for performing semiempirical, ab initio, and density functional molecular orbital (MO) calculations.

MATLAB : A high-level language and interactive environment that enables us to perform computationally intensive tasks faster than with traditional programming languages such as C, C++, and Fortran.

Mathematica : Symbolic scientific computing software

Fortran : programming language for scientific computing

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