Department of Physics, Uppsala University, Sweden

Transcription

1 Assistant Professor Department of Physics Indian Institute of Science Education and Research Phone: +91 (20) A-359, Main Building, Dr. Homi Bhabha Road Pune , India mukul Positions Aug Till date June Aug Jan May 2012 Nov Nov Dec Nov March May 2006 : Assistant Professor Indian Institute of Science Education and Research-Pune, India : Visiting Assistant Professor S. N. Bose National Centre for Basic Sciences, India : Visiting Researcher S. N. Bose National Centre for Basic Sciences, India : Senior Postdoctoral Research Associate Department of Materials Science and Engineering Massachusetts Institute of Technology, USA : Postdoctoral Research Associate Department of Materials Science and Engineering Massachusetts Institute of Technology, USA : Visiting Researcher Department of Physics, Uppsala University, Sweden Academic Ph.D. (Physics) 2008 Jadavpur University (thesis submitted in 2006); S. N. Bose National Centre for Basic Sciences, Kolkata, India Graduate Aptitude Test in 2001 Department of Education, MHRD, India Engineering (GATE) M. Sc. in Physics University of Calcutta, Kolkata, India B. Sc. in Physics University of Calcutta, Kolkata, India Awards Research Broad Ramanujan Fellowship, DST - Govt. of India, 2011 Young Investigators Meeting, Boston 2010 Multiscale materials modeling: Bridging different length- and timescales. First principles electronic structure calculations, sampling reaction/diffusion pathways with quantum fidelity. Specific Graphene and other 2D materials Strongly correlated systems, magnetism, and superconductivity Materials for electronic and spintronic applications Materials design for charge storage, solar cell and catalysis 1

2 Publications: Total (published) 32 (Referred Journal - 29, Conference proceedings - 03) Total Citation (h-index 14) ISI web: Rohit Babar and Mukul Kabir Transition Metal and Vacancy Defect Complexes in Phosphorene: A Spintronic Perspective The Journal of Physical Chemistry C 120, (2016) 31. Anshu Sirohi, Chandan K. Singh, Gohil S. Thakur, Preetha Saha, Sirshendu Gayen, Abhishek Gaurav, Shubhra Jyotsna, Zeba Haque, L. C. Gupta, Mukul Kabir, Ashok K. Ganguli and Goutam Sheet High spin polarization and the origin of unique ferromagnetic ground state in CuFeSb Applied Physics Letters 108, (2016) 30. Dhani Nafday, Mukul Kabir, and Tanusri Saha-Dasgupta Controlling adatom magnetism on bilayer graphene by external field Physical Review B 93, (2016) 29. Mukul Kabir and Krystyn. J. Van Vliet Kinetics of Topological Stone-Wales Defect Formation in Single Walled Carbon Nanotube The Journal of Physical Chemistry C 120, 1989 (2016) 28. Jessica G. Swallow, Jae Jin Kim, Mukul Kabir, James F. Smith, Harry L. Tuller, Sean R. Bishop, and Krystyn J. Van Vliet Operando reduction of elastic modulus in (Pr, Ce)O 2 d thin films Acta Materialia 105, 16 (2016) 27. Shreemoyee Ganguly, Mukul Kabir, Carmine Autieri, Biplab Sanyal Manipulating magnetism of MnO nano-clusters by tuning the stoichiometry and charge state Journal of Physics: Condensed Matter (2015) 26. Mukul Kabir and Tanusri Saha-Dasgupta Manipulation of edge magnetism in hexagonal graphene nanoflakes Physical Review B 90, (2014) 25. S. Chowdhury, S. Baidya, D. Nafday, S. Halder, M. Kabir, B. Sanyal, T. Saha-Dasgupta, D. Jana, and A. Mookerjee A real-space study of random extended defects in solids: Application to disordered Stone-Wales defects in graphene Physica E 61, 191 (2014) 24. Soumyajit Sarkar, Mukul Kabir, Martha Greenblatt and Tanusri Saha-Dasgupta Role of oxometallic complex on OH dissociation during water oxidation: A microscopic insight from DFT Journal of Materials Chemistry A, 1, (2013) 23. Soumendu Datta, Mukul Kabir, and Tanusri Saha-Dasgupta Effects of shape and composition on the properties of CdS nanocrystals Physical Review B 86, (2012) 22. Mukul Kabir, and Krystyn J. Van Vliet Reversible Mechanism for Spin Crossover in Transition-Metal Cyanides Physical Review B 85, (2012) 21. Mukul Kabir*, S. Mukherjee, and T. Saha-Dasgupta Substantial reduction of Stone-Wales activation barrier in fullerene Physical Review B 84, (2011); *Corresponding author 2

3 20. Soumendu Datta, Mukul Kabir, and Tanusri Saha- Dasgupta Ab initio study of structural stability of small 3d late transition metal clusters: Interplay of magnetization and hybridization Physical Review B 84, (2011) This paper was featured in the Virtual Journal of Nanoscale Science & Technology, Vol-24, Issue-8 (2011) 19. Shreemoyee Ganguly, Mukul Kabir*, Biplab Sanyal, and Abhijit Mookerjee Unusual structure and magnetism in manganese oxide nanoclusters Physical Review B (Rapid Communication) 83, (2011) *Corresponding author This paper was featured in the Virtual Journal of Nanoscale Science & Technology, Vol-23, Issue-6 (2011) 18. Soumendu Datta, Mukul Kabir, Abhijit Mookerjee, and Tanusri Saha- Dasgupta Engineering the magnetic properties of the Mn13 cluster by doping Physical Review B 83, (2011) This paper was featured in the Virtual Journal of Nanoscale Science & Technology, Vol-23, Issue-9 (2011). 17. Mukul Kabir, Timothy T. Lau, David Rodney, Sidney Yip, and Krystyn J. Van Vliet Predicting Dislocation Climb and Creep from Explicit Atomistic Details Physical Review Letters, 105, (2010) 16. Mukul Kabir, Timothy T. Lau, Xi Lin, Sidney Yip, and Krystyn J. Van Vliet Effects of vacancy-solute clusters on diffusivity in metastable Fe-C alloys Physical Review B 82, (2010) 15. S. Datta, Mukul Kabir, Abhijit Mookerjee, and Tanusri Saha-Dasgupta Structure, reactivity and electronic properties of V-doped Co clusters Physical Review B 80, (2009) This paper was featured in the Virtual Journal of Nanoscale Science & Technology, Vol-20, Issue-9 (2009) 14. Diana Iusan, Mukul Kabir, Olle Eriksson, and Biplab Sanyal A microscopic picture of Co clustering in ZnO Physical Review B 79, (2009) 13. Soumendu Datta, Mukul Kabir, Tanusri Saha-Dasgupta, and D. D. Sarma Study of Structural Stability and Electronic Structure of Nonstoichiometric CdS Nano Clusters from First Principles Journal of Nanoscience and Nanotechnology 9, 5489 (2009) 12. S. Ganguly, Mukul Kabir*, S. Datta, B. Sanyal, and A. Mookerjee Magnetism in small bimetallic Mn-Co clusters Physical Review B 78, (2008) *Corresponding author This paper was featured in the Virtual Journal of Nanoscale Science & Technology, Vol-18, Issue-2 (2008). 11. S. Datta, Mukul Kabir, T. Saha-Dasgupta, and D. D. Sarma First principle study of structural stability and electronic structure of CdS nanoclusters J. Physical Chemistry C 112, 8206 (2008) 10. S. Samanta, Mukul Kabir, B. Sanyal and D. Bhattacharya Twist dependent staking energy of base-pair step: A density functional theory approach Int. J. Quantum Chemistry 108, 1173 (2008) 9. Mukul Kabir*, D. G. Kanhere and Abhijit Mookerjee Emergence of noncollinear magnetic ordering in small magnetic clusters: Mn n and As@Mn n Physical Review B 75, (2007) *Corresponding author 3

4 8. S. Datta, Mukul Kabir*, S. Ganguly, B. Sanyal, T. Saha-Dasgupta, and A. Mookerjee Structure, bonding, and magnetism of cobalt clusters from first-principles calculations Physical Review B 76, (2007) *Corresponding author 7. Mukul Kabir, Abhijit Mookerjee and D. G. Kanhere Structure, electronic properties and magnetic transition in manganese clusters Physical Review B 73, (2006) This paper was featured in the Virtual Journal of Nanoscale Science & Technology, Vol-14, Issue-2 (2006) 6. Mukul Kabir*, D. G. Kanhere and Abhijit Mookerjee Large magnetic moments and anomalous exchange coupling in As-doped Mn clusters Physical Review B 73, (2006) *Corresponding author 5. Mukul Kabir, and Abhijit Mookerjee Tight-Binding Molecular Dynamics Study of Copper Clusters Nano-Scale Materials: From Science to Technology Eds., S.N.Sahu, R.K. Choudhury and P. Jena (Nova, New York, 2006) 4. Mukul Kabir, Abhijit Mookerjee, and D. G. Kanhere Magnetism in pure and doped manganese clusters Lecture series on computer and computational sciences, Vol-4 pp (Brill Academic Publishers, The Netherlands, 2005) 3. Mukul Kabir*, Abhijit Mookerjee and A. K. Bhattacharya Structure and stability of Cu clusters : A tight-binding molecular dynamics study Physical Review A 69, (2004) *Corresponding author 2. Mukul Kabir*, Abhijit Mookerjee and A. K. Bhattacharya Copper clusters : Electronic effect dominates over geometrical effect European Physical Journal D 31, 477 (2004) *Corresponding author 1. Mukul Kabir, Abhijit Mookerjee, R. P. Datta, Amitava Banerjea and A. K. Bhattacharya Study of small metallic nanoparticles: An ab-initio full-potential muffin-tin orbitals based molecular dynamics study of small Cu clusters Int. J. of Mod. Phys. B 17, 2061, (2003) Chapters in Books: 1. Mukul Kabir, Abhijit Mookerjee, and D. G. Kanhere Magnetism in pure and doped manganese clusters Astrophysics and Condensed Matter: Horizons in World Physics (Vol. 262, Nova, New York, 2008) Invited lectures: 1. Point-defect and Transition metal complexes in phosphorene, Functional Materials for Today and Tomorrow, Hotel Hindusthan International, October 28 30, Magnetism in Graphene Flakes, Current Trends in Condensed Matter Physics, NISER, Bhubaneswar February 19 22, Edge magnetism in graphene flakes: Effect of shape, Department of Nuclear Engineering, Massachusetts Institute of Technology, Cambridge, December 19, Unconventional magnetism in graphene, DAE BRNS symposium on Multiscale Modeling of Materials and Devices, Bhabha Atomic Research Center, Mumbai, October 30 November 2,

5 5. Manipulating edge magnetism in hexagonal graphene nanoflake, Workshop in High Performance Computing, IUAC, Delhi, 5-6 May Surface and bulk diffusion of methane in clathrate hydrate, International Symposium on clusters, Cluster Assemblies and Nano-scale Materials - III, Harish-Chandra Research Institute, Allahabad, March 11-14, Formation and diffusion mechanism of gas clathrate hydrates, Physics and Chemistry of Materials: Computation and Experiments, S. N. Bose National Center for Basic Sciences, Kolkata, February 24-25, Materials modeling toward sustainable energy applications, Recent Trends in Renewable Energy Systems and Software Applications, MIT College of Engineering, Pune, December, Magnetism: A few interesting topics (series of lectures including hands-on sessions), School-cum- Workshop on Electronic Structure Calculations using HPC Systems, Naukuchiatal, 29 April - 4 May, Topological Defect Formation & Activation in Carbon Nanostructures, Science of Clusters, Nanoparticles and Nanoscale-Materials, Jaipur, 4-7 March, Magnetic ordering in small magnetic clusters, Uppsala University, Sweden, 20 April, Emergence of noncollinear magnetic ordering in pure and As-doped manganese clusters, International Conference of Computational Methods in Sciences and Engineering, Korinthos, Greece, October Electronic and magnetic properties of pure and doped manganese clusters, University of Saarland, Germany, 19 October, 2005 Significant presentations in conferences/workshops : 1. Controlling Adatom Magnetism on Bilayer Graphene by External Field, APS March Meeting, Baltimore, March 14-18, Manipulating edge magnetism in hexagonal graphene flakes, Materials Research Society meeting, Boston, December 01-05, Reversible spin crossover mechanism in transition-metal cyanides, American Physical Society meeting, Dallas, March 20-25, Substantial reduction in Stone-Wales activation barrier, Materials Research Society meeting, Boston, December 2, Effects of vacancy-carbon point defect clusters on diffusivity in metastable Fe-C alloys, Materials Research Society meeting, Boston, November 30, Atomistic modeling of dislocation mobility, American Physical Society Meeting, Portland, March 15-19, Predicting Dislocation Mobility From Explicit Atomistic Details, TMS Annual Meeting, Seattle, February 14-18, Novel Mechanism of Reversible Photoinduced Magnetism in Prussian Blue Analogs, Materials Research Society meeting, Boston, November 30 - December 3, Predicting Dislocation Mobility From Explicit Atomistic Details: A Kinetic Monte Carlo Study, Materials Research Society meeting, Boston, November 30 - December 3, Point defect diffusion and dislocation climb in ferritic steel, The Fourth International Conference on Multiscale Materials Modeling (MMM-2008), Tallahassee, Florida, October,

6 Other Responsibilities Referee Member Physical Review Letters, Physical Review B, Applied Physics Letters, Physica B, J. Alloys and Compounds, Materials Research Express American Physical Society, Materials Research Society, Sigma Xi, The Scientific Research Society,