54 citations · 150 across the 9 of their papers we have counts for
6 papers · 1 filter
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…
Displacive Jahn--Teller transition in NaNiO
Liam Agostino Vincenzo Nagle-Cocco, Annalena R. Genreith-Schriever, James M. A. Steele +10
Below its Jahn--Teller transition temperature, , NaNiO has a monoclinic layered structure consisting of alternating layers of edge-sharing NaO and Jahn-Telle…
Structural evolution and skyrmionic phase diagram of the lacunar spinel GaMoSe
Emily C. Schueller, Daniil A. Kitchaev, Julia L. Zuo +4
In the lacunar spinels, the electronic structure is described on the basis of inter- and intra-cluster interactions of tetrahedral clusters, and tuning these can le…
Computational screening of magnetocaloric alloys
Christina A. C. Garcia, Joshua D. Bocarsly, Ram Seshadri
An exciting development over the past few decades has been the use of high-throughput computational screening as a means of identifying promising candidate materials for a variety…
Deciphering structural and magnetic disorder in the chiral skyrmion host materials CoZnMn ()
Joshua D. Bocarsly, Colin Heikes, Craig M. Brown +2
CoZnMn () compounds crystallizing in the chiral -Mn crystal structure are known to host skyrmion spin textures even at elevated temperatures. As in other c…
Magnetoentropic signatures of skyrmionic phase behavior in FeGe
Joshua D. Bocarsly, Ryan F. Need, Ram Seshadri +1
We demonstrate that magnetocaloric measurements can rapidly reveal details of the phase diagrams of high-temperature skyrmion hosts, concurrently yielding quantitative latent heats…