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cond-mat.mtrl-sci2025
douka: A universal platform of data assimilation for materials modeling
Aoi Watanabe, Ryuhei Sato, Ikuya Kinefuchi +1
A large-scale, general-purpose data assimilation (DA) platform for materials modeling, douka, was developed and applied to nonlinear materials models. The platform demonstrated its…
cond-mat.mtrl-sci2020
Molecular Insights into the Mechanical Properties of Polymer-Fullerene Bulk Heterojunctions for Organic Photovoltaic Applications
Yuta Yoshimoto, Sou Sugiyama, Shuntaro Shimada +3
We investigate the mechanical properties of -conjugated polymeric materials composed of regioregular poly(3-hexylthiophene) (P3HT) and fullerene C using coarse-grained mo…