Group News
13 Oct 2020

The SAI MATerials group welcomes our first Ph. D. student, Reshma Devi Parthasarathy! Reshma graduated with a Masters in Physics degree from the National Institute of Technology in Surathkal, Karnataka. She will be working on solid state diffusion in ionic materials for energy storage applications.

28 Aug 2020

Zeyu (Jerry) Deng's paper on mapping the phase behavior of rhombohedral Na1+xZr2SixP3-x, a NaSiCON solid electrolyte for Na batteries, was published today in Chemistry of Materials. The study employed the cluster expansion-monte carlo framework, based on density functional theory calculations, to estimate the temperature-composition phase diagram of NaSiCON. The work was led by Prof. Piero Canepa (National University of Singapore), in collaboration with Profs. Anthony K. Cheetham (National University of Singapore and University of California Santa Barbara) and Christian Masquelier (Laboratoire de Réactivité et Chimie des Solides Amiens).

17 Aug 2020

Sai Gautam's paper on generating sub-lattice models entirely using 0 K density functional theory calculations, which can be used to predict off-stoichiometry in materials, was published today in Advanced Theory and Simulations. The work was done in collaboration with Dr. Ellen B. Stechel (Arizona State University) and Prof. Emily A. Carter (University of California Los Angeles).

5 Aug 2020

Work on benchmarking defect formation energies and formation energies of binary Ge-containing compounds, which are relevant for quaternary chalcogenides that are typically used for photovoltaic and thermoelectric applications, was published today in Physical Review B. The paper was written by Dr. Robert Wexler (Princeton University), Dr. Sai Gautam Gopalakrishnan and Prof. Emily A. Carter (University of California Los Angeles).

1 Aug 2020

Nidhish Sagar, a senior (or final year) undergraduate student at the Department of Materials Engineering, IISc, has joined the group today. He will be working on machine learning based on density functonal theory calculations for his senior thesis.

20 Jul 2020

Dr. Sai Gautam Gopalakrishnan joins the Materials $Engineering department, Indian Institute of Science, as a tenure-track Assistant Professor!

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