Phani Motamarri

DFT-FE – A massively parallel adaptive finite-element code for large-scale density functional theory calculations

Phani Motamarri, Sambit Das, Shiva Rudraraju et al. · Computer Physics Communications · 2019 · 193 citations · Full text

Computing, High-performance Computing, Physics +9

Higher-order adaptive finite-element methods for Kohn–Sham density functional theory

Phani Motamarri, Mark Nowak, Kenneth Leiter et al. · Journal of Computational Physics · 2013 · 139 citations · Full text

Computing, Physics, Computational Mechanics +11

Backbone charge transport in double-stranded DNA

Roman Zhuravel, Haichao Huang, Georgia Polycarpou et al. · Nature Nanotechnology · 2020 · 89 citations

Natural Sciences, Biophysics, Molecular Biology +11

Roadmap on electronic structure codes in the exascale era

Vikram Gavini, Stefano Baroni, Volker Blüm et al. · Modelling and Simulation in Materials Science and Engineering · 2023 · 72 citations · Full text

Natural Sciences, Chemistry, High-performance Computing +14

Fast, scalable and accurate finite-element based <i>ab initio</i> calculations using mixed precision computing

Sambit Das, Phani Motamarri, Vikram Gavini et al. · 2019 · 49 citations · Full text

Natural Sciences, Materials Science, Physics +13