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Das, S and Kanungo, B and Subramanian, V and Panigrahi, G and Motamarri, P and Rogers, D and Zimmerman, PM and Gavini, V (2023) Large-Scale Materials Modeling at Quantum Accuracy: Ab Initio Simulations of Quasicrystals and Interacting Extended Defects in Metallic Alloys. In: UNSPECIFIED.
Panigrahi, G and Kodali, N and Panda, D and Motamarri, P (2024) Fast hardware-aware matrix-free algorithms for higher-order finite-element discretized matrix multivector products on distributed systems. In: Journal of Parallel and Distributed Computing, 192 .
Ramakrishnan, K and Nori, SKK and Lee, S-C and Das, GP and Bhattacharjee, S and Motamarri, P (2023) Chemical Bonding in Large Systems Using Projected Population Analysis from Real-Space Density Functional Theory Calculations. In: Journal of Chemical Theory and Computation, 19 (13). pp. 4216-4231.
Das, S and Motamarri, P and Subramanian, V and Rogers, DM and Gavini, V (2022) DFT-FE 1.0: A massively parallel hybrid CPU-GPU density functional theory code using finite-element discretization. In: Computer Physics Communications, 280 .
Lin, C-C and Motamarri, P and Gavini, V (2021) Tensor-structured algorithm for reduced-order scaling large-scale Kohn�Sham density functional theory calculations. In: npj Computational Materials, 7 (1).
Zhuravel, R and Huang, H and Polycarpou, G and Polydorides, S and Motamarri, P and Katrivas, L and Rotem, D and Sperling, J and Zotti, LA and Kotlyar, AB and Cuevas, JC and Gavini, V and Skourtis, SS and Porath, D (2020) Backbone charge transport in double-stranded DNA. In: Nature Nanotechnology .
