PSG College of Technology, Coimbatore, India, B.E. Metallurgical Engineering, 2007Iowa State University, Ames, IA, USA, Ph.D. Materials Science & Engineering, 2011Drexel University, Philadelphia, PA, USA, Postdoctoral researcher, 2014Los Alamos National Laboratory, Los Alamos, NM, USA, Postdoctoral researcher, 2017

My interests are in materials informatics, density functional theory, machine learning, bayesian inference, and optimal design methods applied to accelerate the search and discovery of novelĀ 2D materials, alloys, ferroic and electronic materials.

Research Interests

  • density functional theory
  • materials informatics
  • machine learning/active learning/adaptive learning
  • 2D materials
  • ferroic materials
  • electronic materials

Selected Publications

  • Accelerated Discovery of Large Electrostrains in BaTiO3-based Piezoelectrics using Active Learning R. Yuan, Z. Liu, P.V. Balachandran, D. Xue, Y. Zhou, X. Ding, J. Sun, D. Xue, and T. Lookman, Advanced Materials Early View (2018)
  • Predicting Displacements of Octahedral Cations in Ferroelectric Perovskite using Machine Learning P.V. Balachandran, T. Shearman, J. Theiler, T. Lookman, Acta Crystallographica Section B73, 962-967 (2017)
  • Three-dimensional imaging of vortex structure in a ferroelectric nanoparticle driven by an electric field D. Karpov, Z. Liu, T. dos Santos Rolo, R. Harder, P.V. Balachandran, D. Xue, T. Lookman and E. Fohtung, Nature Communications 8, 280 (2017)
  • Materials descriptors for morphotropic phase boundary curvature in lead-free piezoelectrics D. Xue, P.V. Balachandran, H. Wu, R. Yuan, Y. Zhou, X-D. Ding, J. Sun and T. Lookman, Applied Physics Letters 111, 032907 (2017)
  • Learning from data to design functional materials without inversion symmetry P.V. Balachandran, J. Young, T. Lookman and J.M. Rondinelli, Nature Communications 8, 14282 (2017)
  • Accelerated search for BaTiO3-based piezoelectrics with vertical morphotropic phase boundary using Bayesian learning D. Xue, P.V. Balachandran, R. Yuan, T. Hu, X. Qian, E.R. Dougherty, and T. Lookman, Proceedings of the National Academy of Sciences USA 113, 13301-13306 (2016)
  • Accelerated search for materials with targeted properties by adaptive design D. Xue, P.V. Balachandran, J. Hogden, J. Theiler, D. Xue, and T. Lookman, Nature Communications 7, 11241 (2016)