All Stories

  1. Construction and high throughput exploration of phase diagrams of multi-component organic blends

    Article • Computational Materials Science, January 2023, Elsevier

    Balaji Pokuri

  2. Electronic, redox, and optical property prediction of organic π-conjugated molecules through a hierarchy of machine learning approaches

    Article • Chemical Science, January 2023, Royal Society of Chemistry

    Balaji Pokuri

  3. Multi-fidelity machine learning models for structure–property mapping of organic electronics

    Article • Computational Materials Science, October 2022, Elsevier

    Balaji Pokuri

  4. Easy-to-use python based optimization routine

    Article • ACM Transactions on Mathematical Software, June 2022, ACM (Association for Computing Machinery)

    Professor Chad Risko, Balaji Pokuri

  5. A graph based approach to model charge transport in semiconducting polymers

    Article • npj Computational Materials, March 2022, Springer Science + Business Media

    Balaji Pokuri

  6. Computational characterization of charge transport resiliency in molecular solids

    Article • Molecular Systems Design & Engineering, January 2022, Royal Society of Chemistry

    Balaji Pokuri

  7. Following the crystal growth of anthradithiophenes through atomistic molecular dynamics simulations and graph characterization

    Article • Molecular Systems Design & Engineering, January 2022, Royal Society of Chemistry

    Balaji Pokuri

  8. Fast inverse design of microstructures via generative invariance networks

    Article • Nature Computational Science, March 2021, Springer Science + Business Media

    Balaji Pokuri

  9. InvNet: Encoding Geometric and Statistical Invariances in Deep Generative Models

    Article • Proceedings of the AAAI Conference on Artificial Intelligence, April 2020, Association for the Advancement of Artificial Intelligence (AAAI)

    Balaji Pokuri

  10. Determination of the Free Energies of Mixing of Organic Solutions through a Combined Molecular Dynamics and Bayesian Statistics Approach

    Article • Journal of Chemical Information and Modeling, January 2020, American Chemical Society (ACS)

    Balaji Pokuri

  11. Quantifying the effects of noise on early states of spinodal decomposition:

    Article • January 2020, Elsevier

    Balaji Pokuri

  12. Interpretable deep learning for guided microstructure-property explorations in photovoltaics

    Article • npj Computational Materials, October 2019, Springer Science + Business Media

    Balaji Pokuri

  13. GRATE: A framework and software for GRaph based Analysis of Transmission Electron Microscopy images of polymer films

    Article • Computational Materials Science, June 2019, Elsevier

    Balaji Pokuri

  14. Morphological consequences of ligand exchange in quantum dot - Polymer solar cells

    Article • Organic Electronics, March 2018, Elsevier

    Balaji Pokuri

  15. Process optimization for microstructure-dependent properties in thin film organic electronics

    Article • Materials Discovery, March 2018, Elsevier

    Balaji Pokuri

  16. Nanoscale Morphology of Doctor Bladed versus Spin-Coated Organic Photovoltaic Films

    Article • Advanced Energy Materials, August 2017, Wiley

    Professor Adam J. Moule, Balaji Pokuri

  17. Morphology control in polymer blend fibers—a high throughput computing approach

    Article • Modelling and Simulation in Materials Science and Engineering, August 2016, Institute of Physics Publishing

    Balaji Pokuri

  18. Automated, high throughput exploration of process–structure–property relationships using the MapReduce paradigm

    Article • Materials Discovery, January 2015, Elsevier

    Balaji Pokuri