160 citations · 304 across the 9 of their papers we have counts for
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Concerted Electron-Ion Transport by Polyacrylonitrile Elucidated with Reactive Deep Learning Potentials
Rajni Chahal-Crockett, Michael D. Toomey, Logan T. Kearney +4
Charge transport in polymers, such as polyacrylonitrile (PAN), is crucial for electronics and energy storage. For instance, PAN can transport cations e.g., Li+, by facilitating dyn…
Probing Boron Vacancy Defects in hBN via Single Spin Relaxometry
Alex L. Melendez, Ruotian Gong, Guanghui He +14
Spin defects in solids offer promising platforms for quantum sensing and memory due to their long coherence times and optical addressability. Here, we integrate a single nitrogen-v…
Nanoscale magnetic ordering dynamics in a high Curie temperature ferromagnet
Yueh-Chun Wu, Gábor B. Halász, Joshua T. Damron +11
Thermally driven transitions between ferromagnetic and paramagnetic phases are characterized by critical behavior with divergent susceptibilities, long-range correlations, and spin…
Deep Learning Interatomic Potential Connects Molecular Structural Ordering to Macroscale Properties of Polyacrylonitrile (PAN) Polymer
Rajni Chahal, Michael D. Toomey, Logan T. Kearney +4
Polyacrylonitrile (PAN) is an important commercial polymer, bearing atactic stereochemistry resulting from nonselective radical polymerization. As such, an accurate, fundamental un…