Xiangbei Liu is a PhD candidate in the engineering program. Xiangbei received a 2025 Neukom Prize for Outstanding Graduate Research in Computational Science.
What do you consider your hometown and how has it shaped who you are today?
My hometown is Dalian, China, where I spent the first 21 years of my life. It shaped the way I understand the world — encouraging me to stay curious, seek out new perspectives, and approach challenges with both dedication and delight.
Dalian gave me the mindset to keep exploring and reaching farther places, and it remains the most cherished corner of my memory.
Where did you earn your undergraduate degree and what did you study?
I earned my undergraduate degree from Dalian University of Technology. My major was mechanical design, manufacturing, and their automation through the innovative and experimental class program.
What is your program at Dartmouth?
I am a PhD candidate in the engineering program at Thayer School of Engineering, with a concentration in materials science and engineering, in Dr. Yan Li’s research group.
Why did you choose Dartmouth to pursue your degree?
After spending a year as an undergraduate exchange student at UC Irvine and two years earning my master’s degree at UC San Diego in California, I realized I wanted to experience life on the other coast of the U.S. So I crossed the diagonal—from the southwest corner to the northeast—to come to Dartmouth.
I was also drawn by its strong sense of community and the opportunity to study in a more closely connected academic environment.
Tell us about your research—what questions are you exploring, and what inspired you to dive into this work?
My research focuses on how machine learning can transform the way we discover and design new materials under data-scarce conditions.
I ask questions such as: How little data is “enough” to train a reliable model for predicting material properties or generating novel designs? How transferable are the representations learned from one class of materials to a different design problem? And can we harness the pattern-recognition power of language models to navigate the vast design spaces inherent to materials engineering?
My work was inspired by the incredible progress we’ve seen in machine learning. As AI continues to reshape so many aspects of everyday life, I began to wonder: could we use AI-driven approaches to “compose” entirely new materials—like high-entropy alloys or metamaterials—without relying on exhaustive simulations or trial-and-error experiments?
That curiosity led me to explore how these models could serve as powerful design engines, accelerating the discovery of next-generation materials.
How does it feel to receive the Neukom Prize? What does this recognition mean to you?
Receiving the Neukom Prize was a tremendous honor. It is deeply rewarding to have my work in materials design recognized by the Dartmouth computational science community; it validates the long hours my collaborators and I have invested in developing data-efficient generative design frameworks.
This award not only acknowledges our past achievements but also motivates me to pursue even more ambitious challenges in materials discovery.
Which resources, career support programs, or professional development opportunities at Dartmouth have been most valuable to you, and how have they impacted your experience?
Some of the most valuable resources for me at Dartmouth have been the Thayer Machine Shop, the Dartmouth Machine Learning Club, and seminars from Guarini and the Dartmouth Library.
The Machine Shop helped me quickly turn designs into real parts, which was essential for testing and validating my projects. The ML Club inspired new ways to build and apply my machine learning skills. And the seminars helped me grow in communication, writing, and project management—skills that have truly prepared me for real-world professional challenges.
What advice would you give to other graduate students about making the most of the resources available through Guarini?
My advice is to explore various Guarini events, even if the topics feel outside your comfort zone. You might uncover a new hobby, connect with new friends who share your interests, or receive unexpected career guidance.
Stepping into something unfamiliar sometimes leads to meaningful personal growth and valuable professional development.
What is your favorite place or activity that you like best in the Hanover area?
I love spending time outdoors in the Hanover area during the summer. Swimming at Storrs Pond and paddling on the Connecticut River near the Ledyard Canoe Club—whether by kayak, canoe, or paddleboard—are my favorite ways to relax. These moments bring a sense of calm, especially after a long day in the lab.
