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Daniel Wines (Fed)

Physicist

Research Interests:

My research focuses on applying first-principles methods such as density functional theory (DFT) and Quantum Monte Carlo (QMC) in conjunction with machine learning techniques to study next-generation quantum materials. Specifically, I am interested in correlated two-dimensional magnets, superconductors, and defects in semiconductors. My work can be divided into three categories: 1) the discovery and understanding of novel quantum materials, 2) accurately calculating the properties of correlated materials using many-body methods beyond DFT, and 3) using machine learning techniques to accelerate material property predictions. Currently, I am working as part of the CHIPS Metrology project "Multiscale Modeling and Validation of Semiconductor Materials and Devices", in which our goal is to develop qualitative and quantitative models for advanced semiconductor heterostructures, including material properties and the impact of the interface quality via multi-scale, multi-fidelity computational approaches.

Current Projects:

  1. Beyond DFT implementation in JARVIS (https://jarvis.nist.gov/)
  2. Quantum Monte Carlo simulations of solids
  3. Computational studies of 2D magnets and superconductors
  4. Multiscale Modeling and Validation of Semiconductor Materials and Devices (https://www.nist.gov/programs-projects/multiscale-modeling-and-validati…)

Outreach:

  • Organizer of the NIST Quantum Matters in Materials Science (QMMS) Workshop
  • Organizer of the recurring NIST Artificial Intelligence in Materials Science (AIMS) Workshop

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Awards

  • NRC Postdoctoral Fellowship 
  • 2024 MML Accolade: MML Postdoctoral Fellow

Publications

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

Author(s)
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 December 17, 2024