SIMULATIONS REVEAL CHALLENGES TO ARTIFICIAL COMMUNITY SELECTION AND POSSIBLE STRATEGIES FOR SUCCESS.


Exploring high-performance viscosity index improver polymers via high-throughput molecular dynamics and explainable AI

Abstract Data-driven material innovation has the potential to revolutionize the traditional Edisonian process and significantly shorten development cycles.However, the scarcity of data in materials science and the poor interpretability of machine learning pose serious obstacles to the adoption of this new paradigm.Here, we propose a pipeline that i

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