Group Member Profile

< return to staff
Aditi Krishnapriyan
Graduate Student - Department of Materials Science and Engineering
aditik1 _at_
> Publications


  • B.S. Chemistry, Physics, University of California, Santa Barbara, 2013

Aditi's research interests focus on mathematical based approaches for materials property prediction. This has included combining graph-based algorithms and algebraic topology-based representations with statistical learning to describe energy storage material properties, computational geometry approaches to describe 2D phase change materials, and numerical optimization for quantum mechanical parameters. She is particularly interested in using aspects of applied math (topology, category theory, computational geometry, graph theory, etc.) for interesting scientific problems.

Aditi is funded by the Department of Energy Computational Science Graduate Fellowship (DOE CSGF) and has also spent time working at Los Alamos National Laboratory, Toyota Research Institute, and Google.

Before graduate school, Aditi studied physics and chemistry in theĀ College of Creative Studies College of Creative Studies at the University of California, Santa Barbara. While at UCSB, she conducted research with Professor Ram Seshadri in the Materials Research Laboratory using density functional theory-based approaches. She also previously worked at other locations including Cornell University, SLAC National Accelerator Laboratory, and Lawrence Berkeley National Laboratory (The Molecular Foundry).

Aditi was born in the land of picturesque green rolling hills and rushing rivers, also known as Des Moines, Iowa, before moving to California. In her free time, she enjoys functional programming, automated theorem proving, distance running, reading, and studying languages.

Selected Publications

A. Krishnapriyan, P. Yang, A.M.N. Niklasson, and M.J. Cawkwell, Numerical Optimization of Density Functional Tight-Binding Models: Application to Molecules Containing Carbon, Hydrogen, Nitrogen, and Oxygen , J. Chem. Theory Comput., 13, 6191-6200 (2017).

A. Krishnapriyan, P. T. Barton, M. Miao, and R. Seshadri, First Principles Study of Band Alignments in p-type Hosts BaM2X2 (M = Cu, Ag, X = S, Se), J. Phys. Condens. Matter 26, 155802 (1-6), 2014.

M. Miao, J. Brgoch, A. Krishnapriyan, A. Goldmann, J. Kurzman, and R. Seshadri, On the stereochemical inertness of the auride lone-pair: Ab-initio studies of AAu (A = K, Rb, Cs), Journal of Inorganic Chemistry, 52, 8183-8189, 2013.

Awards and Honors

Department of Energy Computational Science Graduate Fellowship (DOE CSGF)
- Awarded by Department of Energy

RISE Materials Research Laboratory Scholarship
- Awarded by UCSB Materials Research Laboratory

Imerys North America Scholarship
- Awarded by Imerys Minerals

College of Creative Studies Honors
- Awarded by UCSB College of Creative Studies

Tau Beta Pi (Chemistry Honor Society)
- Awarded by UCSB Chemistry Department

< return to staff