| 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 | 312 | 2020 |
| Strong Pressure Dependent Electron-Phonon Coupling in FeSe S Mandal, RE Cohen, K Haule Phys. Rev. B Rapid Communications 89, 220502(R), 2014 | 89 | 2014 |
| Systematic beyond-DFT study of binary transition metal oxides S Mandal, K Haule, KM Rabe, D Vanderbilt npj Comput Mater 5, 115, 2019 | 66 | 2019 |
| What determines the sign reversal of magnetoresistance in a molecular tunnel junction? S Mandal, R Pati ACS nano 6 (4), 3580-3588, 2012 | 65 | 2012 |
| How Correlated is the FeSe/SrTiO3 System ? S Mandal, P Zhang, S Ismail-Beigi, K Haule Physical Review Letters 119, 067004, 2017 | 63 | 2017 |
| 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 | 49 | 2016 |
| 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 | 37 | 2014 |
| 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 | 25 | 2012 |
| 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 | 22 | 2019 |
| 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 | 22 | 2016 |
| 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 | 21 | 2021 |
| 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 | 15 | 2022 |
| 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 | 15 | 2019 |
| Mechanism behind the switching of current induced by a gate field in a semiconducting nanowire junction S Mandal, R Pati Physical Review B—Condensed Matter and Materials Physics 84 (11), 115306, 2011 | 14 | 2011 |
| Valence and Spin fluctuations in Mn-doped ferroelectric BaTiO3 S Mandal, RE Cohen, K Haule Phys. Rev. B 98, 075155 98, 075155, 2018 | 13 | 2018 |
| 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 | 12* | 2017 |
| Codoping in a single molecular junction from first principles S Mandal, R Pati Physical Review B—Condensed Matter and Materials Physics 83 (19), 195420, 2011 | 11 | 2011 |
| 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 | 11 | 2009 |
| 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 | 10 | 2019 |
| 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 | 8 | 2021 |
Sohrab Ismail-BeigiYale UniversityVerified email at yale.edu
