3 citations · 3 across the 4 of their papers we have counts for
7 papers · 1 filter
Synthesizing like a chemist: an iterative, feedback-driven loop for materials discovery
Fang Sheng, Steven B. Torrisi, Amanda Volk +4
Most computationally predicted materials are never synthesized because conventional synthesis optimization is slow, expertise-dependent, and iterative. Here we present a closed-loo…
Short-Range Order and LiTM Probability Maps for Disordered Rocksalt Cathodes
Tzu-chen Liu, Steven B. Torrisi, Chris Wolverton
Short-range order (SRO) in the cation-disordered state is a controlling factor influencing the probability of finding Li tetrahedron clusters in disordered rocksalt (DRX) cat…
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…
Anomalous Reversal of Stability in Mo-containing Oxides: A Difficult Case Exhibiting Sensitivity to DFT+U and Distortion
Tzu-chen Liu, Dale Gaines, Hyungjun Kim +3
Accurate predictions of the properties of transition metal oxides using density functional theory (DFT) calculations are essential for the computational design of energy materials.…
Interpretable Multimodal Machine Learning Analysis of X-ray Absorption Near-Edge Spectra and Pair Distribution Functions
Tanaporn Na Narong, Zoe N. Zachko, Steven B. Torrisi +1
We used interpretable machine learning to combine information from multiple heterogeneous spectra: X-ray absorption near-edge spectra (XANES) and atomic pair distribution functions…
High-Throughput Design of Atomic Interfaces using InterMatch
Eli Gerber, Steven B. Torrisi, Sara Shabani +6
Forming a hetero-interface is a materials-design strategy that can access an astronomically large phase space. However, the immense phase space necessitates a high-throughput appro…