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Daniel Wines (Fed)


Research Interests:

My research focuses on applying first-principles methods such as density functional theory (DFT) and Quantum Monte Carlo to study next-generation quantum materials. Specifically, I am interested in correlated two-dimensional magnets and superconductors. My work can be divided into two categories: 1) the discovery of new and novel quantum materials and 2) accurately calculating the properties of correlated materials using many-body methods beyond DFT.

Current Projects:

1) Beyond DFT implementation in JARVIS (
2) Quantum Monte Carlo simulations of solids
3) Computational studies of 2D magnets and superconductors


  • Main organizer of the NIST Quantum Matters in Materials Science Workshop
  • Co-organizer of the recurring NIST Artificial Intelligence in Materials Science Workshop

Google Scholar




NRC Postdoctoral Fellowship 


JARVIS-Leaderboard: A Large Scale Benchmark of Materials Design Methods

Kamal Choudhary, Daniel Wines, Kevin Garrity, aldo romero, Jaron Krogel, Kayahan Saritas, Panchapakesan Ganesh, Paul Kent, Pascal Friederich, Vishu Gupta, Ankit Agrawal, Pratyush Tiwary, ichiro takeuchi, Robert Wexler, Arun Kumar Mannodi-Kanakkithodi, Avanish Mishra, Kangming Li, Adam Biacchi, Francesca Tavazza, Ben Blaiszik, Jason Hattrick-Simpers, Maureen E. Williams
Reproducibility and validation are major hurdles for scientific development across many fields. Materials science in particular encompasses a variety of
Created December 18, 2021, Updated January 19, 2023