Nikhil Kodali

MATRIX Lab,
Department of Computational and Data Sciences,
Indian Institute of Science

prof_pic.png

310, CDS,

IISc,

Bangalore,560012

In my Ph.D. work, under the supervision of Prof. Phani Motamarri, I am attempting to develop novel computational methods and efficient, scalable implementation procedures for extensions of Density Functional Theory (Eg. Spin-Orbit coupling, GW methods, RPA correlation etc.) within the real-space framework of finite element discretization. These methodologies will enable us to take advantage of present-day extreme-scale computing architectures, allowing us to explore new frontiers in materials sciences, which has not been possible thus far. Additionally, my PhD research will leverage these capabilities to conduct systematically convergent large-scale ab initio simulations accommodating generic boundary conditions in the domain of device materials inaccessible thus far.

selected publications

  1. PhysRevB
    Short-range atomic ordering in nonequilibrium silicon-germanium-tin semiconductors
    S. Mukherjee, N. Kodali, D. Isheim, and 5 more authors
    Physical Review B, Apr 2017
    Publisher: American Physical Society
  2. JPDC
    Fast hardware-aware matrix-free algorithms for higher-order finite-element discretized matrix multivector products on distributed systems
    Gourab Panigrahi, Nikhil Kodali, Debashis Panda, and 1 more author
    Journal of Parallel and Distributed Computing, Apr 2024
  3. Under Review
    Finite-element methods for noncollinear magnetism and spin-orbit coupling in real-space pseudopotential density functional theory
    Nikhil Kodali, and Phani Motamarri
    Oct 2024