NuChemE Project to Co-host Research Seminar at NMSU
The NuChemE Pipeline project is pleased to co-host another Shires Graduate Research Seminar in coordination with the Department of Chemical & Materials Engineering at New Mexico State University. We will be welcoming speaker Dr. Ping Yang; Deputy Director, G.T. Seaborg Institute for Transactinium Science Staff Scientist, Theoretical Division at Los Alamos National Laboratory (LANL).
Cracking a Longstanding Chemical Challenge: How AI Is Transforming f-Element Separation
Abstract: For over 80 years, scientists have confronted one of chemistry’s most persistent challenges: efficiently separating rare earth elements and actinides — elements essential to electronics, clean energy, and national security. These elements are notoriously difficult to isolate due to their nearly identical chemical behavior. Solving this challenge is critical for enabling technologies that power everything from wind turbines and electric vehicles to nuclear reactors. Rational design of advanced separation schemes has traditionally been a time-consuming and costly endeavor. This complexity stems in part from the intricate electronic structures of f-elements, which give rise to their versatile chemical bonding, reactivity, and spectral properties. Beyond fundamental bonding interactions with extractants, numerous other factors also influence solvent extraction efficiency.
At LANL, the SeparationML project is reimagining how science addresses this grand challenge. Moving beyond traditional trial-and-error approaches, the team has developed a first-of-its-kind autonomous discovery platform — an integrated system that combines artificial intelligence, high-throughput quantum simulations, and robotic experimentation. This presentation will discuss the unique chemical bonding facilitated by 5f-electrons — including δ and φ metal-to-ligand back-bonding interactions — and their implications for separation chemistry, followed by recent advances in the autonomous discovery of selective separation for f-elements.
Speaker Bio: With a strong passion for chemistry, Dr. Ping Yang began her career in the National Labs as a summer graduate research intern during her PhD studies. After completing a postdoctoral appointment at LANL, she joined Pacific Northwest National Laboratory as a staff scientist before returning to Los Alamos. Dr. Yang holds a keen interest in leveraging advanced high-performance computing frameworks and in developing innovative computational methods to address complex chemical challenges. She is passionate about applying artificial intelligence and machine learning techniques to unlock the vast chemical space enabling a clean energy future.
Location: Jett Hall 259
Time: 10:30 pm – 11:20 pm
Date: Friday, May 2nd, 2025
Email NuChemE Project Coordinator to join via zoom (klindema@nmsu.edu)