A multi-orbital iterated perturbation theory for model Hamiltonians and real material-specific calculations of correlated systems N Dasari, WR Mondal, P Zhang, J Moreno, M Jarrell, NS Vidhyadhiraja The European Physical Journal B 89, 1-19, 2016 | 25 | 2016 |
Structural Phase Transitions of NbO2: Bulk versus Surface GJ Páez Fajardo, SA Howard, E Evlyukhin, MJ Wahila, WR Mondal, ... Chemistry of Materials 33 (4), 1416-1425, 2021 | 20 | 2021 |
Phonon localization in binary alloys with diagonal and off-diagonal disorder: A cluster Green's function approach WR Mondal, T Berlijn, M Jarrell, NS Vidhyadhiraja Physical Review B 99 (13), 134203, 2019 | 18 | 2019 |
Role of V-V dimers on structural, electronic, magnetic, and vibrational properties of by first-principles simulations and Raman spectroscopic analysis WR Mondal, E Evlyukhin, SA Howard, GJ Paez, H Paik, DG Schlom, ... Physical Review B 103 (21), 214107, 2021 | 16 | 2021 |
Localization of phonons in mass-disordered alloys: A typical medium dynamical cluster approach WR Mondal, NS Vidhyadhiraja, T Berlijn, J Moreno, M Jarrell Physical Review B 96 (1), 014203, 2017 | 16 | 2017 |
Ab initio approaches to high-entropy alloys: a comparison of CPA, SQS, and supercell methods M Karabin, WR Mondal, A Östlin, WGD Ho, V Dobrosavljevic, KM Tam, ... Journal of Materials Science 57 (23), 10677-10690, 2022 | 9 | 2022 |
Effect of short-ranged spatial correlations on the Anderson localization of phonons in mass-disordered systems WR Mondal, NS Vidhyadhiraja Bulletin of Materials Science 43 (1), 314, 2020 | 3 | 2020 |
Unraveling the role of V-V dimer on the vibrational properties of VO by first-principles simulations and Raman spectroscopic analysis WR Mondal, E Evlyukhin, SA Howard, GJ Paez, H Paik, DG Schlom, ... arXiv preprint arXiv:2008.08725, 2020 | 2 | 2020 |
A study on the surface states of a topological insulator: Bi2Se3 WR Mondal, SK Pati arXiv preprint arXiv:1208.1482, 2012 | 2 | 2012 |
A deconstructive analysis of charge-transfer and electrostatic field fluctuations to supplement first-principles modeling of disordered metals WG Ho, W Mondal, H Terletska, KM Tam, M Karabin, M Eisenbach, ... Bulletin of the American Physical Society, 2024 | | 2024 |
Application of Full-Potential DFT Method Based on Multiple Scattering Theory on Group IV Alloys W Mondal, S Ghosh, KM Tam, M Eisenbach, Y Wang, H Terletska Bulletin of the American Physical Society, 2024 | | 2024 |
Mechanism of charge transfer and electrostatic field fluctuations in high entropy metallic alloys WGD Ho, WR Mondal, H Terletska, KM Tam, M Karabin, M Eisenbach, ... arXiv preprint arXiv:2311.14463, 2023 | | 2023 |
Mechanism governing electronic charge rearrangements in random alloys WG Ho, M Karabin, Y Wang, M Eisenbach, G Stocks, X Liu, W Mondal, ... APS March Meeting Abstracts 2023, D44. 006, 2023 | | 2023 |
Anderson localization of phonons in multi-branch mass-disordered systems W Mondal, Y Zhang, T Berlijn, NS Vidhyadhiraja, H Terletska, WRM Team, ... APS March Meeting Abstracts 2023, G61. 012, 2023 | | 2023 |
From superconductor to Anderson Insulator: harnessing disorder in quantum materials D Lewis, H Terletska, W Mondal, A Mirmira, S Sen, V Sudhindra, ... APS March Meeting Abstracts 2022, G00. 014, 2022 | | 2022 |
A first principles investigation of electronic charge distribution in random alloys Y Wang, M Karabin, M Eisenbach, G Stocks, X Liu, W Mondal, H Terletska, ... APS March Meeting Abstracts 2022, F46. 009, 2022 | | 2022 |
A typical medium dynamical cluster approximation for studying Anderson localization of phonons in multi-branch mass-disordered systems W Mondal, S Sadanandan, Y Zhang, A Mirmira, T Berlijn, H Terletska, ... APS March Meeting Abstracts 2022, N48. 004, 2022 | | 2022 |
MuST: A high performance ab initio framework for the study of disordered structures Y Wang, M Eisenbach, X Liu, M Karabin, S Ghosh, H Terletska, W Mondal, ... APS March Meeting Abstracts 2021, F22. 006, 2021 | | 2021 |
From LSMS to MuST: Large scale first principles materials calculations at the exascale M Eisenbach, X Liu, M Karabin, S Ghosh, Y Wang, H Terletska, W Mondal, ... APS March Meeting Abstracts 2021, S19. 002, 2021 | | 2021 |
The local quantum cluster typical medium approach for disordered systems. A Moilanen, KM Tam, W Mondal, Y Wang, M Eisenbach, L Chioncel, ... APS March Meeting Abstracts 2021, C57. 009, 2021 | | 2021 |