Quantum Vibrational Spectroscopy
About Us
We are a theoretical and computational chemistry group. We aim to understand structure-functionality relationships of small to large complex molecular systems and clusters. We develop new vibrational structure methods using quantum mechanics and machine learning.
We are particularly involved in
Development of new formalism for quantum anharmonic vibrational spectroscopy and their applications
Development of Artificial intelligence based Machine Learning algorithms for ro-vibrational spectroscopy
Development of potential energy surfaces
Many-body theory
Quantum statistical mechanics for temperature depended properties
Development of computational chemistry software
Molecular understanding of H+/H/H- migrations
Open Position:
Advertisement for the post of JRF
Applications are invited for a JRF position in Theoretical and Computational Chemistry in a purely time bound research project under the SERB sponsored major research project at the Department of Chemistry and Chemical Sciences, Central University of Jammu, Rahya-Suchani (Bagla), District-Samba, Pin: 181143, J&K.
Name of the Post: Junior Research Fellow (JRF)
Number of Post :One (01)
Title of the Project: Development and Implementation of Hybrid Potential Energy Surface for Vibrational Structure Theories
Duration: One year (initially), extendable up to three years (or till the completion of this project whichever is earlier) subject to satisfactory performance
Sponsoring Agency: Science and Engineering Research Board (SERB), New Delhi
Essential Qualification: M.Sc. in Chemistry/Physics (or other relevant subjects) with minimum 55% Marks or equivalent CGPA; Qualified NET/GATE or any other equivalent national level examinations conducted by Central Govt. Departments; Essential knowledge of Quantum Mechanics and computer is desirable
Monthly Fellowship: Rs. 31,000.0 (1st & 2nd year, JRF) and Rs. 37,000.0 (3rd year, SRF) + 8 % (HRA) as per SERB/University norms
Eligible candidates may send their application containing cover letter, detailed CV with recent photograph and names of two referees to Dr. Tapta Kanchan Roy (Principal Investigator), Assistant Professor, Department of Chemistry and Chemical Sciences, Central University of Jammu, Rahya-Suchani (Bagla), District-Samba, Pin: 181143, J&K on or before 25th March 2024. The application may also be sent to: tapta.che@cujammu.ac.in as soft copy (singe PDF).
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Open Position:
Advertisement for the post of Project Assistant (PA)
Applications are invited for a walk-in-interview for a project assistant to work in the J&K Science Technology & Innovation Council sponsored research project in the Department of Chemistry and Chemical Sciences, Central University of Jammu, Rahya-Suchani (Bagla), District-Samba 181143, J&K.
1.Name of the Post : Project Assistant
2.Number of Post : 01
3.Title of the Project: Study of Accuracy and Interpretability of Electronic Structure Theories for Computational Vibrational Spectroscopy
4. Duration : 02 Years (Initially for 01 year and may be extended up to the completion of project based on the performance)
5.Name of the Sponsoring Agency: J&K Science Technology & Innovation Council, India
6. Essential Qualification : M.Sc. Chemistry/Physical Chemistry/Physics with minimum 55% marks or equivalent CGPA. Relaxation in % of marks is given as per GoI rules
7. Monthly Fellowship : Rs. 12,000/- (Consolidated)
8. Terms and Conditions: The services of the selected candidate will be governed by the rules of the funding agency and CU Jammu. The project fellowship is a full time position. The selected candidate shall not draw money from any other source.
Eligible candidates may send their application containing cover letter, detailed CV with recent photograph and names of two referees to Dr. Tapta Kanchan Roy (Principal Investigator), Assistant Professor, Department of Chemistry and Chemical Sciences, Central University of Jammu, Rahya-Suchani (Bagla), District-Samba 181143, J&K on or before 17th March 2024.
The application may also be sent to: tapta.che@cujammu.ac.in
Research Highlights
D. Sharma and T. K. Roy*
J. Phys. Chem. A, (2023), 127, 7132
T. K. Roy*
J. Phys. Chem. A, 2022, 126, 608
T. K. Roy* and R. B. Gerber.
J. Chem. Theory Comput. (2020), 16, 11, 7005
S. Banik, A. K. Sansi, S. Nandan. and T. K. Roy*
ChemistrySelect, (2020) 5, 9288
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A. Fayaz, S. Banik and T. K. Roy*
Comput. Theor. Chem., (2023), 122, 114059
A. Fayaz, T. K. Roy,* and S.Banik,*
J. Chem. Sc., (2022), 134, 67