Dr. Hemant Kumar Assistant Professor
School of Basic Sciences

Research Interests

Computational condensed matter; Electronic and magnetic properties of 2D materials; Functional materials; Energy storage; Genome Folding

Contact Details

  • Room no: 133 ; School of Basic Sciences (Physics), IIT Bhubaneswar, Argul, Khordha - 752 050
  • +91-674-713-5178
  • hemant@iitbbs.ac.in

Other Profile Link(s)


 Degree Discipline Year School
  Postdoctoral Research 2019 University of Pennsylvania, Philadelphia
  Ph.D. Physics 2014 Indian Institute of Science, Bangalore
  M.Sc. Physics 2008 Jawaharlal Nehru University, New Delhi




Mathematical Physics, Atomistic Simulations in Physics, Statistical Mechanics, B.Tech Physics Lab, B.Tech Physics


  1. Development and Applications of Multiscale Modelling Methods for 2D Material Heterostructures, funded by IITBBS
  2. Rational Design Flexible Energy Storage Devices Using Multiscale Simulations and Machine Learning , funded by SERB India
  3. Development of Process for Preparation of 4N High Pure Alumina (HPA) and Substrate Making for its Validation in LED/Semiconductor,  funded by NALCO
  4. Integrated Clean Energy Material Acceleration Platform (IC-MAP) for  Automation and AI/ML-Assisted Development of Solid-State Battery Technology, funded by DST India
  5. Room-temperature Sodium-Sulfur Batteries for Stationary Storage Applications, funded by ReNew Power Ltd

Recent Publications (International Journals)

1 Drew Edelberg, Hemant Kumar, Vivek Shenoy, Héctor Ochoa & Abhay N. Pasupathy, Tunable strain soliton networks confine electrons in van der Waals materials, Nature Physics, In Press
2Lin Wang, Samuel S Welborn, Hemant Kumar, Manni Li, Zeyu Wang, Vivek B Shenoy, Eric Detsi, "High‐Rate and Long Cycle‐Life Alloy‐Type Magnesium‐Ion Battery Anode Enabled Through (De) magnesiation‐Induced Near‐Room‐Temperature Solid–Liquid Phase Transformation" Advanced Energy Materials, 45, Advanced Energy Materials, 2019
3Nathan C. Frey, Arkamita Bandyopadhyay, Hemant Kumar, Babak Anasori, Yury Gogotsi, and Vivek B. Shenoy; “Surface-Engineered MXenes: Electric Field Control of Magnetism and Enhanced Magnetic Anisotropy” ACS Nano 13, 2831-2839 (2019).
4Nathan C. Frey, Hemant Kumar, Babak Anasori, Yury Gogotsi, and Vivek B. Shenoy; “Tuning noncollinear spin structure and anisotropy in ferromagnetic nitride MXenes” ACS Nano 12, 6319-6325, (2018).
5Hemant Kumar, Chandan Dasgupta, and Prabal K. Maiti; “Phase Transition in Monolayer Water Confined in Janus Nanopore” Langmuir, 34, 12199-12205 (2018).
6Kamalika Ghatak, Swastik Basu, Tridip Das, Hemant Kumar, Dibakar Datta; “Effect of cobalt content on the electrochemical properties and structural stability of NCA type cathode materials”, Physical Chemistry Chemical Physics, 34, 22805-22813 (2018).
7Dequan Er, Han Ye, Nathan C. Frey, Hemant Kumar, Jun Lou, and Vivek B. Shenoy; “Prediction of Enhanced Catalytic Activity for Hydrogen Evolution Reaction in Janus Transition Metal Dichalcogenides”, Nano Letters 18, 3943-3949 (2018).
8Nathan C. Frey, Bryan Byles, Hemant Kumar, Ekaterina Pomerantseva, and Vivek B. Shenoy; “Prediction of optimal structural water concentration for maximized performance in transition- metal oxide electrodes”, Physical Chemistry Chemical Physics 20, 9480-9487 (2018).
9Hooman Yaghoobnejad Asl, Jintao Fu, Hemant Kumar, Samuel S. Welborn, Vivek B. Shenoy, and Eric Detsi; “In-situ Dealloying of Bulk Mg2Sn in Mg-Ion Half Cell as an Effective Route to Nanostructured Sn for High-Performance Mg-Ion Battery Anodes” ACS Chemistry of Materials 30, 1815-1824 (2018).
10Hemant Kumar, Nathan C. Frey, Liang Dong, Babak Anasori, Yury Gogotsi, and Vivek B. Shenoy; “Tunable Magnetism and Transport Properties in Nitride MXenes” ACS Nano 11,7648-7655 (2017). Featured on the cover
11Liang Dong, Hemant Kumar, Babak Anasori, Yury Gogotsi, and Vivek B. Shenoy; “Rational Design of 2-Dimensional Metallic and Semiconducting Spintronic Materials Based on Ordered Double-Transition-Metal MXenes J. Phys. Chem. Lett. 8, 422-428 (2017).
12Hemant Kumar, Eric Detsi, Daniel Abraham, Vivek B. Shenoy; “Fundamental Mechanisms of Solvent Decomposition Involved in SEI Formation in Sodium-Ion Batteries” ACS Chemistry of Materials 28 (24), 8930–8941 (2017).
13Sudip Chakraborty, Hemant Kumar*, Chandan Dasgupta, and Prabal K. Maiti; “Confined Water: Structure, Dynamics and Thermodynamics” Accounts of Chem. Res. 50 (9), 2139-2146 (2017).
14D. Er, Eric Detsi, Hemant Kumar, and Vivek B. Shenoy; “Defective Graphene and Graphene Allotropes as High Capacity Anode Materials for Mg-ion Batteries” ACS Energy Letters 1, 638-645 (2016)
15Hemant Kumar, Liang Dong, and Vivek B. Shenoy; “Limits of Coherency and Strain Transfer in Flexible 2D van der Waals Heterostructures: Formation of Strain Solitons and Interlayer Debonding” Scientific Reports 5, 21516 (2016).
16Hemant Kumar, Dequan Er, Liang Dong, Junwen Li, Vivek B Shenoy; “Elastic deformations in 2D van der Waals heterostructures and their impact on optoelectronic properties: predictions from a multiscale computational approach” Scientific reports 5, 10872 (2015).
17Hemant Kumar, Chandan Dasgupta, and Prabal K. Maiti; “Structure, Dynamics and Thermodynamics of Single-file Water Under Confinement: Effects of Polarizability of Water Molecules” RSC Adv. 5, 1893-1901 (2014)
18Hemant Kumar, Chandan Dasgupta, and Prabal K. Maiti; “Driving Force for water entry in hydrophobic carbon nanotube; Energy or Entropy” Mol. Sim 41, 504-511 (2014)
19R. Shivanna, D. Pramanik, Hemant Kumar, et. al.; “Confinement Induced Stochastic Sensing of Charged Coronene and Perylene Aggregates in alpha-Hemolysin Nanochannel”, Soft Matter 9, 10196-10202 (2013).
20Hemant Kumar, Yves Lansac, Matt. Glaser, Prabal K. Maiti; “Bio-polymers in nanopores: challenges and opportunities”, Soft Matter 7, 5898-5907 (2011).
21Hemant Kumar, Biswaroop Mukherjee, Chandan Dasgupta, A.K. Sood, S.T.Lin, and Prabal K. Maiti; “Thermodynamics of water entry in hydrophobic channels of carbon nanotubes”, J. Chem. Phys. 134, 124105, (2011).
22Book Chapter: Hemant Kumar, and Prabal Maiti; “Introduction to Molecular Dynamics Simulations” in the book Computational Statistical Physics, edited by S. B. Santra and P. Ray, Hindustan Book Agency, New Delhi.
23Book Chapter: Hemant Kumar et al.; “Graphene and Carbon Nanotube based nanomaterial: Application in biomedical and energy research” in the Handbook of Carbon nanomaterials, vol 6, edited by Francis D’Souza and Karl M. Kadish, World Scientific, Singapore.

Academic Honors & Awards

Record not found. Please check back later.


Research Scholar

  1. Sweta Das (Ph.D.  July 2019 Onwards)
  2. Pratik Mishra (Ph.D. Jan 2020 Onwards)
  3. Saheb Bera (Ph.D. Aug. 2020 Onwards)
  4. Sawayamshree Senapati (Ph.D. Aug. 2020 Onwards)
  5. Sidhant Barik (PhD Aug. 2022 Onwards)
  6. Soumyashree Das (PhD Aug. 2023 Onwards)
  7. Deepanshu Kaushik (M.Sc. 2023)
Group Almuni:
  1. Souvick Chakraborty  (M.Sc. 2020)
  2. Saheb Bera (M.Sc.  2020)
  3. Swarendu Maity (M.Sc. 2021)
  4. Vikasmita Samanta (M.Sc. 2021)
  5. Subhrajit Sahoo (M.Sc. 2021)
  6. Piyush Pradip Raut (B.Tech 2021)
  7. Pavan Guguloth (B.Tech 2021)
  8. Mangamuri Sai Eswar Prasad (B.Tech 2021)
  9. Sourav Sasmal (MSc 2022)
  10. Chayan Roy (MSc 2023)
  11. Bhasvana Doni (BTech 2023)
  12. Rishabh Jain (BTech 2023)
  13. Jainam G Raval (BTech 2023)

Professional Experience

Current Openings

Recruitment for the Post of Project Scientist on DST Funded Project

Applications are invited on the prescribed format for the following assignment on a purely temporary contract basis in a time-bound research project undertaken at the School of Basic Sciences, IIT Bhubaneswar.

Job Title: Project Scientist I

Funding Agency: DST India

Project Title: DST‐Storage MAP: Automation and AI/ML‐ Assisted development of solid-state battery technology

Essential Qualification: PhD in Physics or any related branch of science/engineering with training in computational material physics.

Preferred Skills: High-throughput Density Functional Theory Simulations, Energy Storage Materials, AI/ML for Material Design.

Duration: 1 Year, extendable to three years

Remuneration: 56,000 pm + HRA.

Last date of Application: 05/04/2022

Application Procedure: Candidates must send their applications via the job portal at the institute’s website. To complete application process, please visit the Institute’s website: www.iitbbs.ac.in. After entering the website, go to the 'Jobs' tab at the top then select the option 'Recruitment for Research Project Work' and fill up the online application form against Advt. No. : IITBBS/R&D/RP307/Rect/55/2021‐2). For more details regarding the application, please visit (https://webapps.iitbbs.ac.in/sric-application/advt/postadvt_1647517926.pdf). The shortlisted candidates will be invited for an online interview before a committee. The committee will make the final decision on hiring. For any queries, please contact (hemant@iitbbs.ac.in)

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