658 citations · 1.2k across the 18 of their papers we have counts for
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JARVIS-Leaderboard: A Large Scale Benchmark of Materials Design Methods
Kamal Choudhary, Daniel Wines, Kangming Li +35
Lack of rigorous reproducibility and validation are major hurdles for scientific development across many fields. Materials science in particular encompasses a variety of experiment…
The nature of dynamic local order in CHNHPbI and CHNHPbBr
Nicholas Weadock, Tyler Sterling, Julian Vigil +12
Hybrid lead halide perovskites (LHPs) are a class of semiconductor with novel properties that are distinctively governed by structural fluctuations. Diffraction experiments sensiti…
Origin of ultra-low thermal conductivity in unconventional clathrates: Strong scattering from extremely low-frequency rattling modes
Kamil M. Ciesielski, Brenden R. Ortiz, Lidia C. Gomes +6
Recent discoveries of materials with ultra-low thermal conductivity open a pathway to significant developments in the field of thermoelectricity. Here, we conduct a comparative stu…
Towards overcoming data scarcity in materials science: unifying models and datasets with a mixture of experts framework
Rees Chang, Yu-Xiong Wang, Elif Ertekin
While machine learning has emerged in recent years as a useful tool for rapid prediction of materials properties, generating sufficient data to reliably train models without overfi…
Understanding Cu Incorporation in the Structure using Resonant X-ray Diffraction
Ben L. Levy-Wendt, Brenden R. Ortiz, Lìdia C. Gomes +5
The ability to control carrier concentration based on the extent of Cu solubility in the alloy compound (where 0 x 1) makes $\mathrm{…
A topologically-derived dislocation theory for twist and stretch moiré superlattices in bilayer graphene
Emil Annevelink, Harley Johnson, Elif Ertekin
We develop a continuum dislocation description of twist and stretch moire superlattices in 2D material bilayers. The continuum formulation is based on the topological constraints i…