Kavli Affiliate: Kristin A. Persson | First 5 Authors: Guy C. Moore, Matthew K. Horton, Kristin A. Persson, , | Summary: We propose and implement a novel hybrid meta-heuristic optimization algorithm for the identification of non-collinear global ground-states in magnetic systems. The inputs to this optimization scheme are directly from non-collinear density functional theory (DFT), […]

Kavli Affiliate: Feng Wang | First 5 Authors: Chuntian Cao, Matthew R. Carbone, Cem Komurcuoglu, Jagriti S. Shekhawat, Kerry Sun | Summary: Electrochemical degradation of solid electrolytes is a major roadblock in the development of solid-state batteries, and the formed solid-solid interphase (SSI) plays a key role in the performance of solid-state batteries. In this […]

Kavli Affiliate: Xiang Zhang | First 5 Authors: ianxiang Zhao, Wenchao Yu, Suhang Wang, Lu Wang, Xiang Zhang | Summary: Imitation learning, which learns agent policy by mimicking expert demonstration, has shown promising results in many applications such as medical treatment regimes and self-driving vehicles. However, it remains a difficult task to interpret control policies […]

Kavli Affiliate: Xiang Zhang | First 5 Authors: ianxiang Zhao, Wenchao Yu, Suhang Wang, Lu Wang, Xiang Zhang | Summary: Imitation learning, which learns agent policy by mimicking expert demonstration, has shown promising results in many applications such as medical treatment regimes and self-driving vehicles. However, it remains a difficult task to interpret control policies […]

Kavli Affiliate: Xiang Zhang | First 5 Authors: Tianxiang Zhao, Wenchao Yu, Suhang Wang, Lu Wang, Xiang Zhang | Summary: Imitation learning, which learns agent policy by mimicking expert demonstration, has shown promising results in many applications such as medical treatment regimes and self-driving vehicles. However, it remains a difficult task to interpret control policies […]

Kavli Affiliate: Xiang Zhang | First 5 Authors: Tianxiang Zhao, Wenchao Yu, Suhang Wang, Lu Wang, Xiang Zhang | Summary: Imitation learning, which learns agent policy by mimicking expert demonstration, has shown promising results in many applications such as medical treatment regimes and self-driving vehicles. However, it remains a difficult task to interpret control policies […]

Kavli Affiliate: Kristin A. Persson | First 5 Authors: Guy C. Moore, Matthew K. Horton, Aaron D. Kaplan, Sinéad M. Griffin, Kristin A. Persson | Summary: In this work, we extend the source-free (SF) exchange correlation (XC) functional developed by Sangeeta Sharma and co-workers to plane-wave density functional theory (DFT) based on the projector augmented […]

Kavli Affiliate: Kristin A. Persson | First 5 Authors: Guy C. Moore, Matthew K. Horton, Aaron D. Kaplan, Sinéad M. Griffin, Kristin A. Persson | Summary: In this work, we extend the source-free (SF) exchange correlation (XC) functional developed by Sangeeta Sharma and co-workers to plane-wave density functional theory (DFT) based on the projector augmented […]