Joseph Frimpong
NST, Argonne National Laboratory
I am a postdoctoral researcher at Argonne National Laboratory, where I study the electronic structure and optical properties of materials to advance applications in catalysis, energy, and optoelectronics. My research focuses on computational methods, including density functional theory (DFT), many-body perturbation theory (GW/BSE), and machine learning, to explore structure-property relationships in heterogeneous interfaces, quantum dots, and other nanoscale materials. I am also passionate about leveraging computational chemistry and machine learning to accelerate materials discovery and improve the efficiency of next-generation materials.
In addition to my academic pursuits, I aspire to share my knowledge and experiences through blogging, shedding light on complex topics in a simplified manner.
I write a blog with insights on academic life and computational materials science.
Research Interests
- Many-body electronic-structure (GW/BSE) and dielectric embedding for complex interfaces.
- Machine learning models that accelerate excited-state calculations and screening workflows.
- Quantum dots, nanoscale interfaces, and catalysis-directed materials design.
Latest Posts
- Oct 17, 2025 – Modern Alternatives to Traditional Linux Commands
- Nov 17, 2023 – Getting Started with Linux
- Oct 12, 2023 – Why Graduate School is for You
News
- Aug 02, 2026 – Poster at the Gordon Research Conference on Computational Materials Science and Engineering — Presented “Accelerating Calculations Based on Many-Body Perturbation Theory” at the 2026 GRC, Computational Methods and Artificial Intelligence Tools for Materials Discovery and Industrial Application (Aug 2-7).
- Aug 01, 2026 – Talk and poster at the Gordon Research Seminar on Computational Materials Science and Engineering — Presented “Learning Faithful Representations of the Dielectric Matrix for Excited-State Calculations with Generative Modeling” (with J. Zhan, V. Yu, M. Govoni, G. Galli, and M. Chan).
- Feb 17, 2026 – Named a 2026 BSSw Fellowship Honorable Mention — Recognized as one of six Honorable Mentions in the 2026 Better Scientific Software (BSSw) Fellowship program.
- Jan 01, 2026 – Professional Development Officer, Postdoctoral Society of Argonne — Serving as Professional Development Officer of the Postdoctoral Society of Argonne for 2026.
- Oct 31, 2025 – Talk at the Argonne Postdoctoral Research & Career Symposium — Presented “Towards Accelerating Excited State Calculations with Generative Modeling”.
See the full list on the news page.
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