3 papers
cond-mat.mtrl-sci2026
On The Finetuning of MLIPs Through the Lens of Iterated Maps With BPTT
Evan Dramko, Yizhi Zhu, Aleksandar Krivokapic +4
Accurate structural relaxation is critical for advanced materials design. Traditional approaches built on physics-derived first-principles calculations are computationally expensiv…
cs.LG2025
ADAPT: Lightweight, Long-Range Machine Learning Force Fields Without Graphs
Evan Dramko, Yihuang Xiong, Yizhi Zhu +4
Point defects play a central role in driving the properties of materials. First-principles methods are widely used to compute defect energetics and structures, including at scale f…
cond-mat.mtrl-sci2025
Identifying high performance spectrally-stable quantum defects in diamond
Yihuang Xiong, Yizhi Zhu, Shay McBride +2
Point defects in semiconductors are becoming central to quantum technologies. They can be used as spin qubits interfacing with photons, which are fundamental for building quantum n…