18 citations · 28 across the 7 of their papers we have counts for
8 papers
From Knowledge to Action: Outcomes of the 2025 Large Language Model (LLM) Hackathon for Applications in Materials Science and Chemistry
Aritra Roy, Kevin Shen, Andrew MacBride +350
Large language models (LLMs) are rapidly changing how researchers in materials science and chemistry discover, organize, and act on scientific knowledge. This paper analyzes a broa…
DiffSyn: A Generative Diffusion Approach to Materials Synthesis Planning
Elton Pan, Soonhyoung Kwon, Sulin Liu +9
The synthesis of crystalline materials, such as zeolites, remains a significant challenge due to a high-dimensional synthesis space, intricate structure-synthesis relationships and…
Dislocation-mediated short-range order evolution during thermomechanical processing
Mahmudul Islam, Killian Sheriff, Rodrigo Freitas
Thermomechanical processing alters the microstructure of metallic alloys through coupled plastic deformation and thermal exposure, with dislocation motion driving plasticity and mi…
Machine learning potentials for modeling alloys across compositions
Killian Sheriff, Daniel Xiao, Yifan Cao +2
Materials properties depend strongly on chemical composition, i.e., the relative amounts of each chemical element. Changes in composition lead to entirely different chemical arrang…
Nonequilibrium chemical short-range order in metallic alloys
Mahmudul Islam, Killian Sheriff, Yifan Cao +1
Metallic alloys are routinely subjected to nonequilibrium processes during manufacturing, such as rapid solidification and thermomechanical processing. It has been suggested in the…
Chemical-motif characterization of short-range order with E(3)-equivariant graph neural networks
Killian Sheriff, Yifan Cao, Rodrigo Freitas
Crystalline materials have atomic-scale fluctuations in their chemical composition that modulate various mesoscale properties. Establishing chemistry-microstructure relationships i…
Capturing short-range order in high-entropy alloys with machine learning potentials
Yifan Cao, Killian Sheriff, Rodrigo Freitas
Chemical short-range order (SRO) affects the distribution of elements throughout the solid-solution phase of metallic alloys, thereby modifying the background against which microst…
Quantifying chemical short-range order in metallic alloys
Killian Sheriff, Yifan Cao, Tess Smidt +1
Metallic alloys often form phases - known as solid solutions - in which chemical elements are spread out on the same crystal lattice in an almost random manner. The tendency of cer…