538 citations · 920 across the 15 of their papers we have counts for
15 papers
Electronic correlation in nearly free electron metals with beyond-DFT methods
Subhasish Mandal, Kristjan Haule, Karin M. Rabe +1
For more than three decades, nearly free electron elemental metals have been a topic of debate because the computed bandwidths are significantly wider in the local density approxim…
All electron GW with linearized augmented plane waves for metals and semiconductors
Kristjan Haule, Subhasish Mandal
GW approximation is one of the most popular parameter-free many-body methods that goes beyond the limitations of the standard density functional theory (DFT) to determine the excit…
The Joint Automated Repository for Various Integrated Simulations (JARVIS) for data-driven materials design
Kamal Choudhary, Kevin F. Garrity, Andrew C. E. Reid +25
The Joint Automated Repository for Various Integrated Simulations (JARVIS) is an integrated infrastructure to accelerate materials discovery and design using density functional the…
Influence of magnetic ordering on the spectral properties of binary transition metal oxides
Subhasish Mandal, Kristjan Haule, Karin M. Rabe +1
Using the ab initio embedded DMFT (eDMFT) approach, we study the effect of long-range magnetic ordering on the spectral properties in the binary transition metal oxides, and find t…
Systematic beyond-DFT study of binary transition metal oxides
Subhasish Mandal, Kristjan Haule, Karin M. Rabe +1
Various methods going beyond density-functional theory (DFT), such as DFT+U, hybrid functionals, meta-GGAs, GW, and DFT-embedded dynamical mean field theory (eDMFT), have been deve…
Scalable GW software for quasiparticle properties using OpenAtom
Minjung Kim, Subhasish Mandal, Eric Mikida +7
The GW method, which can describe accurately electronic excitations, is one of the most widely used ab initio electronic structure technique and allows the physics of both molecula…