Prashant Singh

Staff Scientist

Division of Materials Sciences and Engineering

Phone: 515-294-2457
Email: psingh84@ameslab.gov
Office: 336 Wilhelm
Websites:
Photograph of Prashant Singh

Credentials

Professional Appointments

  • 2019-present, Staff Scientist, Ames Laboratory, IA USA
    2019-2023, Visting Researcher, Texas A&M University, TX, USA
    2019-2019, Postdoctoral Fellow, Texas A&M University, TX, USA
    2014-2019, Postdoctoral Fellow, Ames Laboratory, IA, USA
  • Vice-Chair, Chemistry & Physics of Materials Committee, TMS (2026–2028)
    Member, TMS Chemistry and Physics of Materials Committee (2022–present)
    Lead Organizer TMS Symposium: Computational Thermodynamics & Kinetics (2025)

Areas of Expertise

  • Alloy theory.
    Density-Functional theory.
    Linear response theory.
    Machine Learning.
    Agentic AI.
    Magnetism.
    Fusion Materials.
    Structural Materials

Research

Research Interests

  • I am a computational materials scientist working at the intersection of Alloy Theory, Density Functional Theory, and Linear Response Theory to understand and predict materials behavior. My research integrates Machine Learning and Agentic AI approaches with first-principles modeling to accelerate materials discovery. I am particularly interested in Magnetism, Fusion Materials, and Structural Materials, with a focus on developing predictive frameworks that connect fundamental physics to real-world materials design and performance.

Patents

  • Electrocatalyst for water electrolysis, US Patent 11,585,000 (2023).
  • Self-healing refractory high-entropy alloys. ISURF #05713 (2024).
  • Ductile refractory alloys with high strength. ISURF #05629 (2026).
  • Multiphase-engineered refractory MPEA composites. ISURF #5531 (2026).
  • Refractory solid-solution alloys for high-temperature application. ISURF #05417 (2022).

Publications