Krishna Rajan


photo of Krishna.

Krishna Rajan


Krishna Rajan


Research Topics

Materials informatics; Quantitative high resolution imaging; Atom probe tomography

Contact Information

120 Bonner Hall

Buffalo NY, 14260

Phone: (716) 645-1380

Biography Publications Teaching


  • Over 300 publications including:
    • over 300 papers
    • Editor/co-editor of 16 monographs and conference proceedings
    • Over 20 invited book and encyclopedia chapters and review articles
  • Over 300 invited lectures and presentations

Some Recent Publications

Correlative Analysis of Metal Organic Framework Structures through Manifold Learning of Hirshfeld   Surfaces: X. Shen, T. Zhang, S. Broderick and K.Rajan;  Molecular Systems  Design and Engineering;  DOI: 10.1039/c8me00014j (2018)

Probabilistic Assessment of Glass Forming Ability Rules for Metallic Glasses Aided by  Automated Analysis of Phase Diagrams: A.Dasgupta, SR Broderick, C. Mack, B U Kota, R.Subramanian, S. Setlur, V. Govindaraju, Krishna Rajan; Nature Scientific Reports  9:357;  DOI:10.1038/s41598-018-36224-3  (2019)

Advancing and Accelerating Materials Innovation: New Frontiers for the 2 Materials Genome Initiative Juan J. de Pablo; NPJ Computational Materials Science  ( in press-2019)

Automated Analysis of Phase Diagrams;  B.U. Kota, R.R.Nair, S.Setlur, A. Dasgupta, S.R.Broderick, V. Govindaraju and K. Rajan ;  Intl. Workshop on Graphic Recognition (GREC) ,  Proceedings of ICDAR, Kyoto, Japan- Springer Lecture Notes in Computer Science;   Editors: Alicia Fornés and Bart Lamiroy, Springer  (2018)

Data Centric Science for Materials Innovation: Guest editors: I. Tanaka, K.Rajan and C. Wolverton –MRS Bulletin 43 (9) ( 2018)

Topological Data Analysis for the Characterization of Atomic Scale Morphology from Atom Probe Tomography Images   T. Zhang, S.R.Broderick and K.Rajan in Nanoinformatics;  ed. I. Tanaka; Springer (2018)

Nanoinformatics: materials design for health and environmental needs:  in Nanotechnology Environmental Health and Safety:  Risks, Regulation and Management (3rd  edition) Edited by Matthew Hull and Diana Bowman Elsevier, Oxford (2018)

Discovering Chemical Site Occupancy-Modulus Correlations in Ni Based Intermetallics via   Statistical Learning : S. Broderick, A. Kumar, A.A. Oni, J.M. LeBeau, S.B. Sinnott and K.Rajan;  Computational Condensed Matter 14 8-14 (2018)

A Fast Hybrid Methodology based on Heuristics and Quantum Methods for Evaluating Materials Properties:  C.S. Kong, M. Haverty, H. Simka, S. Shankar and K. Rajan; Modeling and Simulation in  Materials Science and Engineering –  25 065014 (2017)

Impact of Extreme Electrical Fields on Charge Density Distributions in Al3Sc Alloy.” C. Loyola, J. Peralta, S.R. Broderick, K. Rajan Journal of Vacuum Science and Technology A 34,061404 (2016)