Academic Preparation

B.Sc.(Physics), Department of Physics, Cotton College, Gauhati University, Guwahati, Assam, India (1997-2000)

M.Sc. (Physics), Department of Physics, Gauhati University, Guwahati, Assam, India (2000-2002)

Ph. D. in the area of theoretical modeling of nanomaterials (2006-2010) Thesis title: Structural and Electronic Properties of Bare and Supported Palladium Nanoclusters: A Density Functional Approach, Department of Chemical Sciences, Tezpur University, Assam, India.

Additional Degree/Award/Activities & Accomplishments

• • Qualified CSIR-UGC NET for Lectureship in Physical Sciences held in India, June, 2004

  • Qualified Graduate Aptitude Test in Engineering (GATE) in Physics, India, 2005

  • Qualified for Senior Research Fellowship (SRF) in Transdisciplinary Research, CSIR, India, 2009

  • Summer Research Fellowship, Indian National Science Academy, 2015

  • Start-Up Grant, UGC, 2014

  • DST Postdoctoral Fellowship in Nanoscience & Technology, 2011

  • Received DST international travel grant to attend the Gordon Research Conference on Noble Metal Nanoparticles, 2012, held at Mount Holyoke College, South Hadley, Massachusetts, USA, during June 15-22, 2012

  • Qualified one-year certificate course in Chinese from the Department of English and Foreign Languages, Tezpur University, 2009

  • Visited China as a Chinese Language Expert in the Indian Youth Delegation to China under the Ministry of Youth Affairs, Government of India, June 2009

Professional Experience

February 2013 - Present: Assistant Professor, Department of Physics, Dibrugarh University

October 2011 - January 2013: Postdoctoral Fellow, Theoretical Sciences Unit, Jawaharlal Nehru Centre for Advanced Scientific Research

April 2009 - March 2010: Senior Research Fellow (CSIR), Department of Chemical Sciences, Tezpur University, Assam

November 2005 - October 2008: Junior Research Fellow, Department of Chemical Sciences, Tezpur University, Assam

March 2004 - March 2005: Junior Research Fellow, Department of Physics, IIT Guwahati, Assam

Administrative Assignments

Member, Departmental Management Committee, Department of Physics, Dibrugarh University

Chairperson, Departmental Management Committee, Department of Physics, Dibrugarh University (2015-2016)

Member, Departmental Research Committee, Department of Physics, Dibrugarh University

Member, Doctoral Committee, Department of Chemistry, Dibrugarh University

Editor, Padartha Vigyan Patrika, Departmental Magazine, Department of Physics, Dibrugarh University (2014-2015)

Member, BOS, Department of Physics, D.U in the latest revisions/corrections in the regulation and syllabi of M.Sc. and I.M.Sc in Physics Department of Dibrugarh University

Member, Local Organizing Committee for “Current Issues in Cosmology, Astrophysics and High Energy Physics (CICAHEP)” organized by the Department of Physics, D.U. from November 2-5, 2015

Member, Local Organizing Committee for “National Workshop on Gravitational Wave Astronomy” held at Department of Physics, D.U. from November 3-5, 2016

In-charge, Material Distribution and Collection Counter, Assembly Election, Assam, 2016

Convener, "National Conference on NanoMaterials Science, Technology and Applications (NAMASTA-2017)" organized by the Department of Physics, D.U. from November 10-11, 2017

External Evaluator in "Gunutsav (Phase: II), Assam", 2018

In-charge, Material Distribution and Collection Counter, Panchayat Election, Assam, 2018

Technical Experience

Extensive use of different molecular modeling and graphics software viz. Material Studio, Gaussview, Chem3D, Chemcraft, Molden, Xcrysden, Vesta, Xmgrace, etc. Experienced with DFT calculations using the DMol³, Gaussian 03 (QM and QM/MM calculations), PWScf code of Quantum Espresso in serial and parallel environments.

Research Interests

Applications of density functional theory in studying

• Structural, electronic, magnetic, and catalytic properties of sub-nano metal/metal alloy clusters
• Metal nanoclusters on a suitable support
• Nanoparticles for gas sensing
• Nanomaterials for hydrogen storage
• Optoelectronic properties of 2D metal oxide monolayers
• Thermoelectric properties of alloys

Research Group

Journals (International)

1. Electronic and thermoelectric behaviour of XCaB (X = Li, Na, K) half-Heusler alloys under strain, Geetimallika Das and Bulumoni Kalita, Physica B: Condens. Matt 691. 416293 (2024) https://doi.org/10.1016/j.physb.2024.416293
   
2. Site dependent strategy for B/C/N homo and heteroatom co-doping in governing the optoelectronic behavior of MgO monolayers, Rituparna Hazarika and Bulumoni Kalita, J. Phys. Chem. Solids 187, 111875 (2024) https://doi.org/10.1016/j.jpcs.2024.111875
3. Alloying ratio versus cluster size for reversible hydrogen storage in 3d transition metal doped small Mg clusters: Dispersion corrected DFT study, Bishwajit Boruah and Bulumoni Kalita, J. Energy Storage 72, 108217 (2023) https://doi.org/10.1016/j.est.2023.108217
4. Electronic Structure Alteration in MgO Monolayer through Alkali Metal Doping, Rituparna Hazarika and Bulumoni Kalita, Mater. Today: Proc. (In Press) (2023) https://authors.elsevier.com/tracking/article/details.do?aid=38713&jid=MATPR&surname=Kalita
5. Site Selective Behaviour of B, C and N doping in MgO Monolayers towards Spintronic and Optoelectronic Applications, Rituparna Hazarika and Bulumoni Kalita, Mater. Sci. Semicond. Process. 162, 107514 (2023) https://doi.org/10.1016/j.mssp.2023.107514
6. Effect of Oxygen Vacancy Defects on Electronic and Optical Properties of MgO Monolayers: First Principles Study, Rituparna Hazarika and Bulumoni Kalita, Mater. Sci. Eng. B 286, 115974 (2022) https://doi.org/10.1016/j.mseb.2022.115974
7. Insights of Hydrogen Adsorption and Dissociation on Ni doped Mg4 Clusters: A DFT Study, Bishwajit Boruah and Bulumoni Kalita, Comput. Theor. Chem. 1217, 113907 (2022) https://doi.org/10.1016/j.comptc.2022.113907
8. Elucidating the Therapeutic Activity of Selective Curcumin Analogues: DFT Based Reactivity Analysis, Rituparna Hazarika and Bulumoni Kalita, Struct. Chem. (2021) https://doi.org/10.1007/s11224-021-01745-7
9. Role of 3d Transition Metal Doping in Determining the Electronic Structure and Properties of Small Magnesium Clusters: A DFT Based Comparison of Neutral and Cationic States, Bishwajit Boruah and Bulumoni Kalita, J. Nanopart. Res. 22, 370 (2020) https://doi.org/10.1007/s11051-020-05083-3
10. Exploring Enhanced Hydrogen Adsorption on Ti Doped Al Nanoclusters: A DFT Study, Bishwajit Boruah and Bulumoni Kalita, Chem Phys. 518, 123 (2019) https://doi.org/10.1016/j.chemphys.2018.04.018
11. Tuning the Adsorption of Elemental Mercury by Small Gas Phase Palladium Clusters: First Principle Study, Bulumoni Kalita, J. Phys. Chem. A, 7714, 120 (2016) https://doi.org/10.1021/acs.jpca.6b06910
12. Nature of CO and NO interactions with Pd-H-ZSM-5 catalyst: A comparative study of DFT based cluster and ONIOM methods, Bulumoni Kalita and Ramesh C. Deka, Catal. Lett. 140, 205 (2010) https://doi.org/10.1007/s10562-010-0439-4
13. Adsorption of CO on oxygen pre-adsorbed neutral and charged gas phase Pd4 clusters: A density functional study, Bulumoni Kalita and Ramesh C. Deka, J. Comput. Chem. 31, 2476 (2010)
    
    https://doi.org/10.1002/jcc.21541
14. Reaction intermediates of CO oxidation on gas phase Pd4 clusters: A density functional study, Bulumoni Kalita and Ramesh C. Deka, J. Am. Chem. Soc.  131, 13252 (2009) https://doi.org/10.1021/ja904119b
15. Investigation of reverse-hydrogen spillover on zeolite-supported palladium tetramer by ONIOM method, Bulumoni Kalita and Ramesh C. Deka, J. Phys. Chem. C 113, 16070 (2009) https://doi.org/10.1021/jp901313n
16. DFT study of CO adsorption on neutral and charged Pdn(n=1–7) clusters, Bulumoni Kalita and Ramesh C. Deka, Eur. Phys. J. D 53, 51 (2009)
    https://doi.org/10.1140/epjd/e2009-00044-6
17. Stability of small Pdn(n=1–7) clusters on the basis of structural and electronic properties: A Density Functional Approach, Bulumoni Kalita and Ramesh C. Deka, J. Chem. Phys. 127, 244306 (2007) https://doi.org/10.1063/1.2806993

Journals (National)

1. Adsorption of small molecules on Ti-Zeolites: An Embedded Cluster Approach, Ramesh C. Deka, Paritosh Mondal and Bulumoni Kalita, Icfai Univ. J. Chem. 2, 38 (2009).
2. Density Functional Studied on Structure and Reactivity of Pdn Clusters for n=1–13, Bulumoni Kalita and Ramesh C. Deka, Bull. Catal. Soc. India 5, 138 (2006).

Books and Book Chapters

1. Computational Studies of Palladium Nanoclusters, LAMBERT Academic Publishing, Germany, 2011, ISBN:978-3-8443-2480-8, Bulumoni Kalita and Ramesh Ch. Deka

1. Nuclear and Particle Physics (I. M. Sc., M. Sc.)
2. Computational Methods (M. Sc.)
3. Nanostructured Materials (M. Sc.)
4. Nuclear and Particle Physics (I. M. Sc., M. Sc.)
5. Atomic and Molecular Physics (I. M. Sc., M. Sc. )
6. Thermal Physics (I. M. Sc.)
7. Properties of Matter and Thermodynamics (I. M. Sc.)
8. Numerical Methods (M. Sc.)
9. Fundamentals of Materials Science (M. Sc.)
10. Waves and Optics (B. Sc., NEP)
11. M. Phil./Ph. D. coursework

1. "Two-Dimensional Alkaline-Earth Metal Oxide Monolayers for Gas Sensing Applications" funded by SURE Grant of DST (2023)
2. "Theoretical study of Hg adsorption on MgO supported Pd metal clusters" funded by Start Up Grant of UGC (2014–2016)