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Subhasish Mandal
Subhasish Mandal
Verified email at mail.wvu.edu - Homepage
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Year
The joint automated repository for various integrated simulations (JARVIS) for data-driven materials design
K Choudhary, KF Garrity, ACE Reid, B DeCost, AJ Biacchi, ...
npj computational materials 6 (1), 173, 2020
254*2020
Strong Pressure Dependent Electron-Phonon Coupling in FeSe
S Mandal, RE Cohen, K Haule
Phys. Rev. B Rapid Communications 89, 220502(R), 2014
812014
What determines the sign reversal of magnetoresistance in a molecular tunnel junction?
S Mandal, R Pati
ACS nano 6 (4), 3580-3588, 2012
64*2012
How Correlated is the FeSe/SrTiO3 System ?
S Mandal, P Zhang, S Ismail-Beigi, K Haule
Physical Review Letters 119, 067004, 2017
612017
Systematic beyond-DFT study of binary transition metal oxides
S Mandal, K Haule, KM Rabe, D Vanderbilt
npj Comput Mater 5, 115, 2019
592019
Role of double TiO2 layers at the interface of FeSe/SrTiO3 superconductors
Z Ke, M Subhasish, A Stephen D., P Rui, P Yujia, K Divine, L Claudia, ...
Physical Review B Rapid Communication 93, 180506(R), 2016
492016
Pressure suppression of electron correlation in the collapsed tetragonal phase of CaFe 2 As 2: A DFT-DMFT investigation
S Mandal, RE Cohen, K Haule
Physical Review B Rapid Communications 90 (6), 060501, 2014
362014
Switching of conductance in a molecular wire: role of junction geometry, interfacial distance, and conformational change
KB Dhungana, S Mandal, R Pati
The Journal of Physical Chemistry C 116 (32), 17268-17273, 2012
242012
Openatom: Scalable ab-initio molecular dynamics with diverse capabilities
N Jain, E Bohm, E Mikida, S Mandal, M Kim, P Jindal, Q Li, S Ismail-Beigi, ...
High Performance Computing: 31st International Conference, ISC High …, 2016
222016
Neuromorphic learning with Mott insulator NiO
Z Zhang, S Mondal, S Mandal, JM Allred, NA Aghamiri, A Fali, Z Zhang, ...
Proceedings of the National Academy of Sciences 118 (39), e2017239118, 2021
192021
Influence of magnetic ordering on the spectral properties of binary transition metal oxides
S Mandal, K Haule, KM Rabe, D Vanderbilt
Phys. Rev. B 100, 245109, 2019
172019
Mechanism behind the switching of current induced by a gate field in a semiconducting nanowire junction
S Mandal, R Pati
Physical Review B 84 (11), 115306, 2011
142011
Revealing surface-state transport in ultrathin topological crystalline insulator SnTe films
CHA Ke Zou , Stephen D. Albright, Omur E. Dagdeviren, M. D. Morales-Acosta ...
APL Materials 7, 051106, 2019
132019
Length Scale and Dimensionality of Defects in Epitaxial SnTe Topological Crystalline Insulator Films
EIA Omur E. Dagdeviren, Chao Zhou, Ke Zou, Georg H. Simon, Stephen Albright ...
Advanced Materials Interfaces, DOI: 10.1002/admi.201601011, 2017
11*2017
Codoping in a single molecular junction from first principles
S Mandal, R Pati
Physical Review B 83 (19), 195420, 2011
112011
Quantum confinement and phase transition in PbS nanowire: A first principles study
S Mandal, R Pati
Chemical Physics Letters 479 (4-6), 244-247, 2009
112009
Electronic correlation in nearly free electron metals with beyond-DFT methods
S Mandal, K Haule, KM Rabe, D Vanderbilt
npj Computational Materials 8, 181, 2022
102022
Valence and Spin fluctuations in Mn-doped ferroelectric BaTiO3
S Mandal, RE Cohen, K Haule
Phys. Rev. B 98, 075155 98, 075155, 2018
102018
Scalable GW software for quasiparticle properties using OpenAtom
M Kim, S Mandal, E Mikida, K Chandrasekar, E Bohm, N Jain, Q Li, ...
Computer Physics Communications 244, 427-441, 2019
92019
Emergence of ferromagnetism due to spontaneous symmetry breaking in a twisted bilayer graphene nanoflex
D Pant, S Aryal, S Mandal, R Pati
Nano Letters 21 (18), 7548-7554, 2021
72021
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