Hem C. Kandpal
Assistant professor
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Interests
Computational Material Science & Solid State and Materials Chemistry, Smart Multifunctional Materials
hem.kandpal@cy.iitr.ac.in
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+91 1332 284764
Biosketch
Educational Details
Professional Background
Administrative Positions

Research
Projects
Papers
Books
Collaborations

Honours and Awards
Honors
Memberships

Teaching Engagements
Teaching Engagements

Students
Supervisions
Associate Scholars

Miscellaneous
Events
Visits
Miscellaneous
BioSketch
Educational Details
University of Mainz, Germany
2007
Ph. D., Materials Science
Professional Background
Visiting Scientist
01 Jan 2007 - 01 Jan 2007
Rutgers, The State University of New Jersey, USA
Guest Scientist
01 Jan 2009 - 01 Jan 2012
IFW Dresden, Germany
Research Associate
01 Jan 2007 - 01 Jan 2009
Institute for Theoretical Physics, Frankfurt University Frankfurt Germany
Teaching Engagements
Teaching Engagements
Thermodynamics and Surface Chemistry ( CY-521 )
Autumn
Physical Chemistry ( CY-001 )
Autumn
Functional Materials: Structure, properties and synthesis ( ICY-04 )
Autumn
Analysis of Industrial Polymers ( CY-772 )
Autumn
Fundamentals of Polymer Sciences ( ICY-01 )
Spring
General Chemistry-III ( CY-008 )
Spring
Kinteics and Photochemistry ( CY-522 )
Spring
Physical Chemistry ( CY-001 )
Autumn
Thermodynamics and Surface Chemistry ( CY-521 )
Autumn
Chemistry Common Course ( CY-101 )
Spring
Kinetics and Photochemistry ( CY-522 )
Spring
Students
SuperVisions
Thermoelectric materials
01 Jan 2013 - Present
Other Supervisors: , Scholar: Mohd Zeeshan
Materials science
01 Jan 2014 - Present
Other Supervisors: , Scholar: Haseeb Ahmed
Computational materials science
01 Jan 2014 - Present
Other Supervisors: , Scholar: Sapna Singh
Materials Science
01 Jan 2017 - Present
Other Supervisors: , Scholar: Jyoti Kashyap
Materials Science
01 Jan 2017 - Present
Other Supervisors: Tashi Nautiyal, Scholar: Rakshanda
Miscellaneous
Events
Workshop on Novel Thermoelectric Materials
04 Aug 2020 - Present
QIP, IIT Roorkee
Materials design from first principles calculations
04 Aug 2020 - Present
Visits
JNCASR and IISC, Bangalore
2020-08-04
to establish or strengthen research collaborations
Leibniz Institute for Solid State and Materials Research Dresden - IFW Dresden, Germany
2015-01-01
In research collaboration.
Leibniz Institute for Solid State and Materials Research Dresden - IFW Dresden, Germany
2016-01-01
In research collaboration.
Leibniz Institute for Solid State and Materials Research Dresden - IFW Dresden, Germany
2018-01-01
In research collaboration
Refereed Journal Papers

A. Polytypism at its best: improved thermoelectric performance in Li based Nowotony-Juza phases                              Uday Chopra, Mohd Zeeshan, Shambhawi Pandey, Harish K. Singh, Jeroen van den Brink, Hem C. Kandpal
arXiv:1806.09505 https://lanl.arxiv.org.lanl.gov/abs/1806.09505

Selected Publications:

1. FeTaSb and FeMnTiSb as promising thermoelectric materials: An ab initio approach
Mohd Zeeshan, Tashi Nautiyal, Jeroen van den Brink, and Hem C. Kandpal                                                                        Phys. Rev. Materials 2, 2018, 065407, https://journals.aps.org/prmaterials/abstract/10.1103/PhysRevMaterials.2.065407

2. Hole-doped cobalt-based Heusler phases as prospective high-performance high-temperature thermoelectrics
Mohd Zeeshan, Jeroen van den Brink, and Hem C. Kandpal

Phys. Rev. Materials 1, 2017, 074401, https://doi.org/10.1103/PhysRevMaterials.1.074401

2. Ab-initio design of new Heusler materials for thermoelectric applications Mohd Zeeshan, Harish K. Singh, Jeroen van den Brink, and Hem C. Kandpal, Phys. Rev. Materials 1, 2017, 075407, https://doi.org/10.1103/PhysRevMaterials.1.075407

3. Jeff description of the honeycomb Mott insulator alpha-RuCl3
A. Koitzsch, C. Habenicht, E. Mueller, M. Knupfer, B. Buechner, H. Kandpal, J. van den Brink, D. Nowak, A. Isaeva, and Th. Doert,

Phys. Rev. Lett. 117, 2016, 126403, https://doi.org/10.1103/PhysRevLett.117.126403

4. Strong magnetic anisotropy of chemically bound Co dimers in a graphene sheet
Hem C. Kandpal, Klaus Koepernik, and Manuel Richter
Phys. Rev. B 86, 2012, 235430, doi:10.1103/PhysRevB.86.235430

5. Multistep Approach to Microscopic Models for Frustrated Quantum Magnets: The Case of the Natural Mineral Azurite
Harald Jeschke, Ingo Opahle, Hem Kandpal, Roser Valentí, Hena Das, Tanusri Saha-Dasgupta, Oleg Janson, Helge Rosner, Andreas Bruehl, Bernd Wolf, Michael Lang, Johannes Richter, Shijie Hu, Xiaoqun Wang, Robert Peters, Thomas Pruschke, and Andreas Honecker
Phys. Rev. Lett. 106, 2011, 217201, doi:10.1103/PhysRevLett.106.217201

6. Calculation of magnetic exchange couplings in the S=3/2 honeycomb system (Bi3Mn4O12)NO3 from first principles
Hem C. Kandpal and Jeroen van den Brink
Phys. Rev. B 83, 2011, 140412, doi:10.1103/PhysRevB.83.140412, appeared in Kaleidescope in April 2011 (http://journals.aps.org/prb/kaleidoscope/April2011)

7. Revision of Model Parameters for κ-Type Charge Transfer Salts: An Ab Initio Study
Hem C. Kandpal, Ingo Opahle, Yu-Zhong Zhang, Harald O. Jeschke, and Roser Valentí
Phys. Rev. Lett. 103, 2009, 067004, doi:10.1103/PhysRevLett.103.067004

8. Electronic structure, magnetism and disorder in the Heusler compound Co2TiSn
Hem Chandra Kandpal, Vadim Ksenofontov, Marek Wojcik, Ram Seshadri and Claudia Felser
J. Phys. D: Appl. Phys. 40, 2007, 1587, doi:10.1088/0022-3727/40/6/S13

9. Covalent bonding and the nature of band gaps in some half-Heusler compounds
Hem C. Kandpal, C. Felser, and R. Seshadri
J. Phys. D. 39, 2006, 776-785, doi:10.1088/0022-3727/39/5/S02

10. Correlation in the transition-metal-based Heusler compounds Co2MnSi and Co2FeSi
Hem Chandra Kandpal, Gerhard H. Fecher, Claudia Felser, and Gerd Schönhense
Phys. Rev. B 73, 2006, 094422, doi:10.1103/PhysRevB.73.094422