Samuel D. Young
Samuel D. Young

ARL Distinguished Postdoctoral Fellow (Energy Sciences)

U.S. Army DEVCOM Army Research Laboratory
University of Michigan

About Me

I am a Distinguished Postdoctoral Fellow in the Battery Sciences branch at the U.S. Army DEVCOM Army Research Laboratory. I completed my doctoral work in the Bryan Goldsmith Computational Catalysis and Materials Laboratory of the University of Michigan. My doctoral research centered on using computational catalysis and machine learning for environmental sciences, specifically water remediation.

In my free time, I enjoy swimming, music composition, and organ performance.

Check out my CV!
Interests
  • Machine learning for materials discovery
  • Computational catalysis
  • Environmental chemistry
  • Battery electrolyte engineering
Education

  • Ph.D. in Chemical Engineering

    University of Michigan

  • M.S. in Chemical Engineering

    University of Michigan

  • B.S. in Chemical Engineering

    Cornell University

Welcome!

I’m a computational chemistry researcher seeking the best materials for electrocatalytic processes and energy storage solutions through multiscale modeling and simulation techniques.

By combining strategic experimental work with the latest advancements in supercomputer architecture, machine learning, and cloud computing, we can design and build the materials and energy processes that will power the future.

Let’s connect.

Recent Publications
Exploring deep-learning and equivariant machine-learning models for molecular dynamics of aqueous Li–Mn–Cl battery electrolytes
Written Dissertation
Umich

Written Dissertation

Abstract Humans contribute more fixed nitrogen than can be reduced naturally. Understanding nitrogen chemistry is essential to balancing the global nitrogen cycle. An imbalanced nitrogen cycle raises levels of nitrate (NO3–) in water. Nitrate-laden water is linked to infant methemoglobinemia and ovarian cancer in humans, and to eutrophication in water reservoirs. To denitrify water, we propose using the electrocatalytic nitrate reduction reaction (NO3RR). NO3RR sustainably removes nitrate from water and generates benign or value-added products, such as NH3 or N2. However, understanding the interconversion of NO3–, NH3, and N2 and developing new catalytic materials are critical to enabling this process. In this thesis, we explore new NO3RR electrocatalysts, including metal alloys, metal sulfides, and metal oxynitrides. Chapters II–IV focus on original research, Chapter I provides an introduction to nitrate reduction, and Chapter V provides conclusions and a future outlook.

Thermodynamic Stability and Anion Ordering of Perovskite Oxynitrides
Metal Oxynitrides for the Electrocatalytic Reduction of Nitrogen to Ammonia
Electrocatalytic nitrate reduction on rhodium sulfide compared to Pt and Rh in the presence of chloride
Perovskite Oxynitrides as Tunable Materials for Electrocatalytic Nitrogen Reduction to Ammonia
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Recent and Upcoming Talks
Heterogeneous Electrocatalysts for Aqueous Nitrate Reduction and Nitrogen Chemistry
Oral Dissertation Defense
AIChE 2022: Thermodynamic Stability and Anion Ordering in ABO2N and ABON2 Perovskite Oxynitrides
ACS Fall 2022: Thermodynamic Stability and Anion Ordering in ABO2N and ABON2 Perovskite Oxynitrides
AIChE 2021: Platinum-Ruthenium Alloys As Electrocatalysts for Efficient Aqueous Nitrate Reduction
ACS Fall 2021: Rhodium Sulfide Electrocatalysts for Electrocatalytic Nitrate Reduction
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