122 citations · 187 across the 8 of their papers we have counts for
8 papers
Tailored ordering enables high-capacity cathode materials
Tzu-chen Liu, Adolfo Salgado-Casanova, So Yubuchi +7
Newly designed Li-ion battery cathode materials with high capacity and greater flexibility in chemical composition will be critical for the growing electric vehicles market. Cathod…
Generative Hierarchical Materials Search
Sherry Yang, Simon Batzner, Ruiqi Gao +7
Generative models trained at scale can now produce text, video, and more recently, scientific data such as crystal structures. In applications of generative approaches to materials…
Accurate Prediction of Experimental Band Gaps from Large Language Model-Based Data Extraction
Samuel J. Yang, Shutong Li, Subhashini Venugopalan +5
Machine learning is transforming materials discovery by providing rapid predictions of material properties, which enables large-scale screening for target materials. However, such…
Predicting emergence of crystals from amorphous matter with deep learning
Muratahan Aykol, Amil Merchant, Simon Batzner +2
Crystallization of the amorphous phases into metastable crystals plays a fundamental role in the formation of new matter, from geological to biological processes in nature to synth…
Principles of the Battery Data Genome
Logan Ward, Susan Babinec, Eric J. Dufek +24
Electrochemical energy storage is central to modern society -- from consumer electronics to electrified transportation and the power grid. It is no longer just a convenience but a…
LiCoO phase stability studied by machine learning-enabled scale bridging between electronic structure, statistical mechanics and phase field theories
Gregory H. Teichert, Sambit Das, Muratahan Aykol +3
LiO (TM={Ni, Co, Mn}) are promising cathodes for Li-ion batteries, whose electrochemical cycling performance is strongly governed by crystal structure and phase stability…
The Phase Stability Network of all Inorganic Materials
Vinay I. Hegde, Muratahan Aykol, Scott Kirklin +1
One of the holy grails of materials science, unlocking structure-property relationships, has largely been pursued via bottom-up investigations of how the arrangement of atoms and i…
Network analysis of synthesizable materials discovery
Muratahan Aykol, Vinay I. Hegde, Linda Hung +4
Assessing the synthesizability of inorganic materials is a grand challenge for accelerating their discovery using computations. Synthesis of a material is a complex process that de…