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 · 186 citations · Full text

Numerical Analysis, Finite Element Method, Numerical Computation +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 · 133 citations · Full text

Numerical Analysis, Finite Element Method, Engineering +3

Backbone charge transport in double-stranded DNA

Roman Zhuravel, Haichao Huang, Georgia Polycarpou et al. · Nature Nanotechnology · 2020 · 85 citations

Chromatin, Dna Nanotechnology, Dna +7

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 · 67 citations · Full text

Subquadratic-scaling subspace projection method for large-scale Kohn-Sham density functional theory calculations using spectral finite-element discretization

Phani Motamarri, Vikram Gavini · Physical Review B · 2014 · 44 citations · Full text