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MIT
Mukul Kabir


    Dr. Mukul Kabir
     Postdoctoral Associate
     Department of Materials Science and Engineering
     Massachusetts Institute of Technology
     77 Massachusetts Avenue
     Cambridge, MA 02139, USA
     E-Mail: mukulkab@mit.edu

   
 

Most material functionalities are determined by the complex interplay of many elementary processes, and not only by the individual properties of each process alone. To correctly account the interplay a large range of length and time scales need to be described. Therefore, theories at the microscopic level namely ab-initio quantum chemical calculations require to be linked appropriately with mesoscale and macroscale theories for predictive materials modeling. My interest evolves mainly with ab-initio investigation of materials, and in cases, connecting them with the concepts and techniques from statistical mechanics and thermodynamics to predict macroscale behavior. To accomplish this, I use a range of theories like - Density Functional Theory (DFT), Nudged Elastic Band (NEB) method and kinetic Monte Carlo (kMC) etc.


Seclected Publications


# S. Datta, M. 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, 014429 (2007).
[PRB Online]


# 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, 214433 (2007).
[PRB Online]


# Mukul Kabir, Abhijit Mookerjee and D. G. Kanhere
Structure, electronic properties, and magnetic transition in manganese clusters
Physical Review B 73, 224439 (2006).
[PRB Online]


# Mukul Kabir, D.G. Kanhere, and Abhijit Mookerjee
Large magnetic moments and anomalous exchange coupling in As-doped Mn clusters
Physical Review B 73, 075210 (2006).
[PRB Online]


# Mukul Kabir, Abhijit Mookerjee and A. K. Bhattacharya
Structure and stability of Copper clusters : A tight-binding molecular dynamics study.
Physical Review A 69, 043203 (2004).
[PRA Online]


 
Last Updated: 27 March 2009
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