Portfolio
Research and project
Projects I've Worked on
PROJECT EXPERIENCE

3D Microstructure Generation for Organic Photovoltaics (Key Contributor)

Developed a high-resolution, over one million pixels, conditional 3D microstructure generation system using a combined VAE and Diffusion model architecture to generate new microstructures on demand.

Efficient Characterization of Virtual Organic Semiconductor Devices (Key
Contributor)

Achieved over 400x performance enhancement in characterizing virtual organic semiconductor devices compared to full physics finite element method based Frameworks. Integrated a surrogate model with an adaptive Bayesian approach for high throughput analysis.

Chemistry-Aware ML Model for OPV Device Analysis (Key Contributor)

Developed a machine learning model focusing on the chemical aspects of virtual Organic Photovoltaic (OPV) device characterization, enabling rapid characterization and morphology optimization.

Supporting Role in Cloud-Based Data Management System for ML Development

Assisted in engineering a backend system using Python, FastAPI, MongoDB, and Docker. This system enabled data exchange across universities, managing over 100 billion data points, with features like data filtering, file and JSON metadata integration, and QR code tracking.

My Research Papers
SELECTED PUBLICATIONS
  1. Identifying representative sub-domains in 3D microstructures for accelerated structure-property mapping in organic solar cells. Nirmal Baishnab, Ankush Mishra, Olga Wodo, Baskar Ganapathysubramanian. (Submitted to Nature
    Computational Materials NPJCOMPUMATS-06147)
  2. 3D conditional microstructure generation using latent diffusion model. Nirmal Baishnab, Ethan Herron, Aditya Balu, Baskar Ganapathysubramanian (Manuscript under preparation)
  3. Chemistry aware machine learning (ML) model for short circuit current prediction. Nirmal Baishnab, Hao Liu, Olga Wodo, Baskar Ganapathysubramanian (Manuscript under preparation)
  4. Role of generated free radicals in synthesis of amorphous hydrogenated boron carbide from orthocarborane using argon bombardment: A ReaxFF molecular dynamics study. Baishnab, Nirmal; Khadka, Rajan; Paquette, Michelle; Rulis, Paul;
    Oyler, Nathan; Hwang, Jinwoo; Sakidja, Ridwan. Published in Journal MRX. Article reference: MRX-119110
  5. Study of amorphous Boron Carbide (a-BxC) materials using Molecular Dynamics (MD) and Hybrid Reverse Monte Carlo
    (HRMC). Rajan Khadka, Nirmal Baishnab, Ridwan Sakidja, George Opletal. Published in Journal of Non-Crystalline
    Solids (doi.org/10.1016/j.jnoncrysol.2019.119783).

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