| Exact exchange-correlation potentials from ground-state electron densities B Kanungo, PM Zimmerman, V Gavini Nature communications 10 (1), 4497, 2019 | 79 | 2019 |
| Large-scale all-electron density functional theory calculations using an enriched finite-element basis B Kanungo, V Gavini Physical Review B 95 (3), 035112, 2017 | 49 | 2017 |
| Real time time-dependent density functional theory using higher order finite-element methods B Kanungo, V Gavini Physical Review B 100 (11), 115148, 2019 | 19 | 2019 |
| A comparison of exact and model exchange–correlation potentials for molecules B Kanungo, PM Zimmerman, V Gavini The Journal of Physical Chemistry Letters 12 (50), 12012-12019, 2021 | 17 | 2021 |
| Fast and robust all-electron density functional theory calculations in solids using orthogonalized enriched finite elements ND Rufus, B Kanungo, V Gavini Physical Review B 104 (8), 085112, 2021 | 10 | 2021 |
| Unconventional error cancellation explains the success of Hartree–Fock density functional theory for barrier heights B Kanungo, AD Kaplan, C Shahi, V Gavini, JP Perdew The Journal of Physical Chemistry Letters 15 (1), 323-328, 2024 | 4 | 2024 |
| Large-scale materials modeling at quantum accuracy: Ab initio simulations of quasicrystals and interacting extended defects in metallic alloys S Das, B Kanungo, V Subramanian, G Panigrahi, P Motamarri, D Rogers, ... Proceedings of the International Conference for High Performance Computing …, 2023 | 4 | 2023 |
| Exact and model exchange-correlation potentials for open-shell systems B Kanungo, J Hatch, PM Zimmerman, V Gavini The Journal of Physical Chemistry Letters 14 (44), 10039-10045, 2023 | 3 | 2023 |
| Exchange correlation potentials from full configuration interaction in a Slater orbital basis S Tribedi, DK Dang, B Kanungo, V Gavini, PM Zimmerman The Journal of Chemical Physics 159 (5), 2023 | 2 | 2023 |
| Efficient all-electron time-dependent density functional theory calculations using an enriched finite element basis B Kanungo, ND Rufus, V Gavini Journal of Chemical Theory and Computation 19 (3), 978-991, 2023 | 1 | 2023 |
| Examining the Impact of Local Condition Violations on Energy Computations in DFT V Khanna, B Kanungo, V Gavini, A Tewari, PM Zimmerman arXiv preprint arXiv:2403.14073, 2024 | | 2024 |
| Estimating Elastic Constants without invoking Cauchy-Born rule: A Displacement Field-Based Approach A Roy, B Kanungo, P Patra, B Bhattacharya Bulletin of the American Physical Society, 2024 | | 2024 |
| Unconventional Error Cancellation Explains the Success of Hartree-Fock Density Functional Theory for Barrier Heights JP Perdew, B Kanungo, A Kaplan, C Shahi, V Gavini Bulletin of the American Physical Society, 2024 | | 2024 |
| Towards Large-scale Quantum Accuracy Materials Simulations V Gavini, S Das, B Kanungo, P Zimmerman Bulletin of the American Physical Society, 2024 | | 2024 |
| Temperature effects on elastic constants and related properties of apatites A Roy, B Kanungo, PK Patra, B Bhattacharya Materials Today Communications 35, 106223, 2023 | | 2023 |
| Exchange Correlation Potentials from Accurate FCI Densities Constructed from Slater Basis Functions S Tribedi, DK Dang, B Kanungo, V Gavini, PM Zimmerman arXiv e-prints, arXiv: 2302.11999, 2023 | | 2023 |
| Fast all-electron density functional theory calculations in solids using orthogonalized enriched finite elements ND Rufus, B Kanungo, V Gavini Bulletin of the American Physical Society 65, 2020 | | 2020 |
| Fast real-time time-dependent density functional theory calculations using higher-order finite element methods B Kanungo, V Gavini Bulletin of the American Physical Society 65, 2020 | | 2020 |
| Exact exchange-correlation potentials from electron densities B Kanungo, V Gavini ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 257, 2019 | | 2019 |
| All-Electron Ground-State and Time-Dependent Density Functional Theory: Fast Algorithms and Better Approximations B Kanungo | | 2019 |
Vikram GaviniMechanical Engineering, University of MichiganVerified email at umich.edu
