Kyle Daniel Miller

ML+DFT for materials design and discovery  |  PhD Candidate  |  Rondinelli Group

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PhD anticipated Summer 2024

Materials Science & Engineering

Northwestern University

Evanston, IL, USA

Keywords

Autonomous materials design and discovery  |  Surrogate models for atomic simulation  |  Structure-property relationships  |  Multiferroics  |  Metal-insulator transitions  |  Active learning  |  Explainable AI  |  Physics-informed models

Motivation

  • I want to create data-driven solutions for materials problems.
  • I excel in collaborative, inquisitive environments.
  • I prioritize efficient communication and fast failure.

Background

  • B.S. in Physics, Mathematics @ University of Puget Sound
  • Summer REU in perovskite synthesis @ University of Minnesota
  • Summer REU in molecular dynamics @ Boise State University

Current Work

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NSF Graduate Research Fellow @ Northwestern University, MTD Group
  ⇒ Discovering and tuning ferroelectric materials
  ⇒ Developing design rules for metal-insulator transition materials

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Computational materials intern @ Sandia National Laboratories
  ⇒ Building neural network surrogate models for atomistic simulation
  ⇒ Contributing to the Materials Learning Algorithms (MALA) framework