Niraj Nepal, Ph.D.

Senior Computational Scientist

nnepal@psc.edu

412-268-4960

 

Niraj is a computational materials scientist specializing in ab-initio electronic structure methods and machine learning for materials discovery. He earned his Ph.D. in Physics from Temple University, USA, in 2020, following his MS and BS degrees in physics from Tribhuvan University, Nepal. As a Postdoctoral Researcher at Ames National Laboratory (2021– 2024) and Temple University (2020–2021), as well as during his Ph.D. studies, he applied ab-initio computational techniques to investigate novel materials. His research focused on developing ab-initio electronic structure methods and exploring their applications in designing quantum materials. In January 2025, he joined the Pittsburgh Supercomputing Center (PSC), where he primarily supports users and conducts research in ab-initio electronic structure methods and quantum computing. In his free time, he enjoys learning new things, traveling, watching interesting documentaries, and hiking.

 

Research Interests

Ab-initio electronic structure methods, machine-learning, high-performance computing, quantum computing, and designing quantum materials.

Websites

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