Aurab Chakrabarty
Aurab Chakrabarty
Chhatrapati Shivaji Maharaj University
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Defect-trapped electrons and ferromagnetic exchange in ZnO
A Chakrabarty, CH Patterson
Physical Review B 84 (5), 054441, 2011
Transition levels of defects in ZnO: Total energy and Janak's theorem methods
A Chakrabarty, CH Patterson
The Journal of chemical physics 137 (5), 054709, 2012
Carbon adsorption on and diffusion through the Fe (110) surface and in bulk: Developing a new strategy for the use of empirical potentials in complex material set‐ups
IH Sahputra, A Chakrabarty, O Restrepo, O Bouhali, N Mousseau, ...
physica status solidi (b) 254 (2), 1600408, 2017
Insights on finite size effects in ab initio study of CO adsorption and dissociation on Fe 110 surface
A Chakrabarty, O Bouhali, N Mousseau, CS Becquart, F El-Mellouhi
Journal of Applied Physics 120 (5), 055301, 2016
Soft MAX phases with boron substitution: A computational prediction
P Chakraborty, A Chakrabarty, A Dutta, T Saha-Dasgupta
Physical Review Materials 2 (10), 103605, 2018
Influence of surface vacancy defects on the carburisation of Fe 110 surface by carbon monoxide
A Chakrabarty, O Bouhali, N Mousseau, CS Becquart, F El-Mellouhi
The Journal of chemical physics 145 (4), 044710, 2016
Scale bridging description of coherent phase equilibria in the presence of surfaces and interfaces
R Spatschek, G Gobbi, C Hüter, A Chakrabarty, U Aydin, S Brinckmann, ...
Physical Review B 94 (13), 134106, 2016
Impact of M n on the solution enthalpy of hydrogen in austenitic F e‐M n alloys: A first‐principles study
J Von Appen, R Dronskowski, A Chakrabarty, T Hickel, R Spatschek, ...
Journal of computational chemistry 35 (31), 2239-2244, 2014
Elucidating the role of extended surface defects at Fe surfaces on CO adsorption and dissociation
A Chakrabarty, ET Bentria, SA Omotayo, O Bouhali, N Mousseau, ...
Applied Surface Science 491, 792-798, 2019
Benchmarking the performance of plane-wave vs. localized orbital basis set methods in DFT modeling of metal surface: a case study for Fe-(110)
K Adhikari, A Chakrabarty, O Bouhali, N Mousseau, CS Becquart, ...
Journal of computational science 29, 163-167, 2018
Site preference and atomic ordering in the structure of In3Pd5: A theoretical study
N Roy, A Chakrabarty, B Koley, T Saha-Dasgupta, PP Jana
Journal of Solid State Chemistry 290, 121567, 2020
A compact field mapping system for vecc superconducting cyclotron magnet
C Nandi, S Bhattacharya, S Roy, SK Mishra, MK Dey, A Roy, S Pal, G Pal, ...
Proceedings of the Indian particle accelerator conference, 2013
Site preference, atomic ordering, electronic structure and chemical bonding of A3Pd5 (A= Mg, Al, Ga): First principles study
N Roy, A Chakrabarty, PP Jana
Solid State Sciences 113, 106544, 2021
Stacking faults in MAX phases V2AlX (X=C, B) in finite temperature and dislocation characterization using the Peierls-Nabarro Model
A Chakrabarty, P Chakraborty, T Saha-Dashgupta, A Dutta
Proceedings of the national conference on quantum condensed matter, 2018
Multiscale Modelling of Carburization of Steel Through Fe-110 Surface and Role of Vacancy Defects
A Chakrabarty, IH Sahputra, OA Restrepo, O Bouhali, N Mousseau, ...
Qatar Foundation Annual Research Conference Proceedings Volume 2016 Issue 1 …, 2016
Ab Initio Study on the Role of Vacancy Defects and Grain Boundaries on the Carburisation of Fe-110 Surface by CO Adsorption and Dissociation
A Chakrabarty, ET Bentria, O Bouhali, N Mousseau, CS Becquart, ...
CO adsorption and carburization through Fe 110 surface: A first-principles approach
A Chakrabarty, IH Sahputra, O Bouhali, N Mousseau, C Becquart, ...
First-principles study of effect of vacancies on CO absorption on Fe surfaces
A Chakrabarty, O Bouhali, N Mousseau, CS Becquart, F El Mellouhi
Understanding Dusting corrosion in Iron from Kinetic Monte Carlo Simulation
F El Mellouhi, O Antonio, A Chakrabarty, O Bouhali, N Mousseau, ...
First-principles calculations of the key atomistic parameters related to hydrogen embrittlement in FeMn
A Chakrabarty, J von Pezold, R Spatschek, T Hickel, J Neugebauer
DPG Frühjahrstagung 2013, 2013
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