Dr. Mukesh Kumar
Assistant Professor


Assistant Professor


Theoretical Condensed Matter, Density Functional Theory



Contact no.: +91-175-2393116


Dr. Mukesh Kumar is an Assistant Professor in School of Physics and Materials Science at Thapar Institute of Engineering & Technology Patiala since Aug 2017. He was awarded with PhD degree in Materials Science from Indian Institute of Technology (IIT) Delhi in 2010. Prior to his present appointment, he was a postdoctoral research fellow at Royal Institute of Technology (KTH), Sweden and National Institute for Materials Science (NIMS), Japan.
His research interests include, designing and understanding of materials from computational approaches for energy and environmental applications. Some areas he has worked on are photovoltaic, optoelectronics, TCOs, semiconductors and plasmonics.

Web page link


Research Projects


 Membership of Professional Institutions, Associations, Societies

  • Life member of Tribology Society of India (TSI)
  • Member of American Physical Society (APS) in 2015
  • Member of European Materials Research Society (EMRS) in 2012 and 2013

Publications and other Research Outputs

  • Mukesh Kumar*, Naoto Umezawa, Satoshi Ishii, Tadaaki Nagao: Examining the performance of refractory conductive ceramics as plasmonic materials: a theoretical approach. ACS Photonics 3,  43-50 (2016)

  • Mukesh Kumar*, Satoshi Ishii, Naoto Umezawa, Tadaaki Nagao: Band engineering of ternary metal nitride system Ti1-x ZrxN for plasmonic applications. Optical Material Express 6, 29-38 (2016). arXiv:1511.01179.

  • Jonathan J. S. Scragg, Jes K. Larsen, Mukesh Kumar, Clas Persson, Jan Sendler, Susanne Siebentritt, Charlotte Platzer Björkman: Cu-Zn disorder and band gap fluctuations in Cu 2 ZnSn(S,Se) 4 : Theoretical and experimental investigations.  Physica Status Solidi (b) 253, 247-254 (2016) [selected as cover page]

  • Mukesh Kumar*, Naoto Umezawa, Motoharu Imai: Structural, electronic and optical characteristics of SrGe2 and BaGe2: A combined experimental and computational study. Journal of Alloys and Compounds 630, 126-132 (2015). 

  • Mukesh Kumar*, G. Baldissera, C. Persson, DGF David, MVS Silva, JA Freitas Jr, J. G. Tischler, JFD Chubaci, M. Matsuoka, A Ferreira da Silva: Bulk Properties of InN Films determined by experiments and theory. Journal of Crystal Growth 403, 124-127 (2014). 

  • Mukesh Kumar*, Naoto Umezawa, Motoharu Imai: BaSi2 as a promising low-cost, earth-abundant material with large optical activity for thin-film solar cells: A hybrid density functional study. Applied Physics Express 7, 071203 (2014).

  • Mukesh Kumar*, Naoto Umezawa, Motoharu Imai: (Sr,Ba)(Si,Ge)2 for thin-film solar-cell applications: First-principles study. Journal of Applied Physics 115, 203718 (2014).

  • Mukesh Kumar*, Clas Persson: Cu(Sb,Bi)(S,Se)2 as Indium-free Absorber Material with High Optical Efficiency. Energy Procedia 44, 176-183 (2014). 

  • Mukesh Kumar*, Clas Persson:   Cu3BiS3 as a potential photovoltaic absorber with high optical efficiency. Applied Physics Letters 102, 062109 (2013). 

  • Mukesh Kumar*, Clas Persson:  Structural, electronic and optical properties of silver delafossite oxides: A first-principles study with hybrid functional. Physica B Condensed Matter 422, 20-27 (2013).

  • Mukesh Kumar*, Clas Persson: CuSbS2 and CuBiS2 as potential absorber materials for thin-film solar cells. Journal of Renewable and Sustainable Energy 5, 031616 (2013).

  • Mukesh Kumar*, Hanyue Zhao, Clas Persson:  Study of band-structure, optical properties and native defects in AIBIIIO2 (AI= Cu or Ag, BIII= Al, Ga or In) delafossites. Semiconductor Science and Technology 28, 065003 (2013). 

  • Mukesh Kumar*, Hanyue Zhao, Clas Persson: Cation vacancies in the alloy compounds of Cu2ZnSn(S1 ˆ’ xSex)4 and CuIn(S1 ˆ’ xSex)2. Thin Solid Films 535, 318€“321 (2013).

  • Mukesh Kumar*, Clas Persson: Ternary Cu3BiY3 (Y = S, Se, and Te) for thin-film solar cells. MRS Online Proceeding Library 1538, 235-240 (2013). 

  • Mukesh Kumar, J. Bijwe: Influence of different types of binder in non-asbestos-organic brake lining materials: A case study on inertia brake dynamometer. Journal of Engineering Tribology 228, 584-592 (2014). 

  • Mukesh Kumar*, Jayashree Bijwe: Optimized Selection of Metallic Fillers for Best Combination of Performance Properties of Friction Materials: a Comprehensive Study. Wear 303, 569-583 (2013). 

  • Mukesh Kumar, Xavier Boidin, Yannick Desplanques, Jayashree Bijwe: Influence of various metallic fillers in friction materials on hot-spot appearance during stop braking. Wear 270, 371-381 (2011). 

  • Mukesh Kumar, Jayashree Bijwe: Composite friction materials based on metallic fillers: Sensitivity of μ to operating variables. Tribology International 44, 106-113 (2011).

  • Mukesh Kumar, Jayashree Bijwe: Non-asbestos organic (NAO) friction composites: Role of copper; its shape and amount. Wear 270, 269-280 (2011).

  • Mukesh Kumar, Jayashree Bijwe: NAO friction materials with various metal powders: Tribological evaluation on full-scale inertia dynamometer. Wear 269, 826-837 (2010). 

  • Mukesh Kumar, Jayashree Bijwe: Studies on reduced scale tribometer to investigate the effects of metal additives on friction coefficient--Temperature sensitivity in brake materials. Wear 269, 838-846 (2010). 

  • Mukesh Kumar, Jayashree Bijwe: Role of different metallic fillers in non-asbestos organic (NAO) friction composites for controlling sensitivity of coefficient of friction to load and speed. Tribology International 43, 965-974 (2010). 

  • Sanjeev Sharma, Jayashree Bijwe, Mukesh Kumar: Comparison Between Nano- and Micro-Sized Copper Particles as Fillers in NAO Friction Materials. Nanomaterials and Nanotechnology 3, 12 (2013). 

  • Hanyue Zhao, Mukesh Kumar, Clas Persson: Density functional theory study of ordered defect Cu-(In, Ga)-Se compounds. Physica Status Solidi (c) 9, 1600-1603 (2012). 

  • A. Yoko, M. Akizuki, N. Hirao, S. Kohara, Mukesh Kumar, N. Umezawa, T. Ohno, Y. Oshima: In situ X-ray diffraction for millisecond-order dynamics of BaZrO3 nanoparticle formation in supercritical water. Journal of Supercritical Fluids 107, 746-752 (2016).

  • D.K. Kolluri, X. Boidin, Y. Desplanques, G. Degallaix, A.K. Ghosh, Mukesh Kumar, J. Bijwe: Effect of Natural Graphite Particle size in friction materials on thermal localisation phenomenon during stop-braking. Wear 268, 1472-1482 (2010).

  • J. Bijwe, Mukesh Kumar, P.V. Gurunath, Y. Desplanques, G. Degallaix: Optimization of brass contents for best combination of tribo-performance and thermal conductivity of non-asbestos organic (NAO) friction composites. Wear 265, 699-712 (2008).

  • J. Bijwe, Mukesh Kumar: Optimization of steel wool contents in non-asbestos organic (NAO) friction composites for best combination of thermal conductivity. Wear 263, 1243-1248 (2007).

Non-SC = 6

  • Mukesh Kumar, N. Umezawa, M. Imai: Electronic properties of BaSi2 related materials: first-principles calculation study. proceedings of the 25th Silicide semiconductor meeting, The Japan Society of Applied Physics, page 1-4 (2015).

  • Mukesh Kumar*, Clas Persson: Cu2ZnSnS4 and Cu2ZnSnSe4 as Potential Earth-Abundant Thin-Film Absorber Materials: A Density Functional Theory Study. International Journal of Theoretical and Applied Sciences 5, 1-8 (2013). 

  • Mukesh Kumar, X. Boidin, Y. Desplanques, J. Bijwe: Investigation on the role of metallic fillers in brake friction materials for counterface friendliness. Proceeding of 6th European Conference on Braking (JEF), Nov 23 €“ 24, 2010, Lille, France. pp. 87-92.

  • J. Bijwe, Mukesh Kumar: On the role of metallic fillers in NAO friction materials. Proc. of 3rd international workshop on Advances in Asbestos free Friction Composites (IWAAFC III), Indian Institute of Technology Delhi, India, Feb 9-10, 2011, pp. 1-8.

  • Mukesh Kumar and J. Bijwe: Influence of brass as a filler on load-speed sensitivity of polymer based friction composites. Proc. of Recent Advances in Innovative Materials (RIAM-08), NIT Hamirpur, HP, India, Feb17-18, 2009, pp. 187.

  • Mukesh Kumar, S. Malliak, J. Bijwe: Volvo bus disc brake testing on a brake inertia dynamometer”, Proc. of National conference on Tribology of Automotive systems. IIT Delhi, India, December 11-12, 2009.

Awards and Honours

  • Int. Grant (travel) from the committee of Int. Conf. on Defects in Semiconductors, Helsinki (June’2015)         

  • Int. Grant (travel) Olle Erikssons stiftelse för materialteknik , KTH, Sweden (Mar’ 2013)

  • Int. Grant (travel) Olle Erikssons stiftelse för materialteknik, KTH, Sweden (Apr’ 2012)

  • Int. Scholarship from Swedish Institute (Swedish Govt. Unit) to work in KTH, Sweden (Sep 2011-2012)          

  • Int. Scholarship India4EU (from European Union) to work in KTH, Sweden (Aug’ 2010-2011)

  • Nat. Grant (travel) grant from Council of Scientific and Industrial Research (CSIR), India (Nov’ 2008)

  • Int. Scholarship EGIDE from French government for exchange visit to ECL Lille, France (Sep’ 2008)

  • Nat. Grant (travel) from Dept. of Science and Technology (DST), India (Jan’ 2007) 

Description of Research Interests

  • First-principles density functional theory (DFT)

  • Defect and impurity in insulators and semiconductors

  • Band engineering, Electronic structure properties calculation

  • Computational nanoscience, solar cells, thermoelectric, plasmonics

  • Development of high performance composites/nano-composites 

Scientific Impact

  • Total post-PhD experience: 6 years

  • Total publications:  35 ( 26 in SCIE journals, 8 in conf. procd and 1 as book chapter)

  • Total Impact factor: 63 (average IF = 2.4)

  • Total citations:  525; h-index: 16; i10- index: 19 (Google Scholar July’2017)

  • Total oral presentation in conferences: 11; Invited talks: 3

  • Editorial board member: International Journal of Theoretical and Applied Sciences

  • Referee for numerous journals:  APS, AIP, Elsevier, IOP, Wiley, RSC and ACS 

  • Strong collaboration skills: worked and published articles with ~40 different co-authors

  • International exposure: USA, Canada, Sweden, France, Finland, Norway, Singapore  and Japan