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A mobile robotic chemist

机译：移动机器人化学家

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摘要

Technologies such as batteries, biomaterials and heterogeneous catalysts have functionsthat are defined by mixtures of molecular and mesoscale components. As yet, this multi-length-scale complexity cannot be fully captured by atomistic simulations, and the design of such materials from first principles is still rare(1-5). Likewise, experimental complexity scales exponentially with the number of variables, restricting most searches to narrow areas of materials space. Robots can assist in experimental searches(6-14)but their widespread adoption in materials research is challenging because of the diversity of sample types, operations, instruments and measurements required. Here we use a mobile robot to search for improved photocatalysts for hydrogen production from water(15). The robot operated autonomously over eight days, performing 688 experiments within a ten-variable experimental space, driven by a batched Bayesian search algorithm(16-18). This autonomous search identified photocatalyst mixturesthat were six times more active than the initial formulations, selecting beneficial components and deselecting negative ones. Our strategy uses a dexterous(19,20)free-roaming robot(21-24), automating the researcher ratherthan the instruments. This modular approach could be deployed in conventional laboratories for a range of research problems beyond photocatalysis.
机译：电池，生物材料和非均相催化剂等技术具有功能性散，由分子和介质组分的混合物限定。目前，不能通过原子模拟完全捕获这种多长度尺度复杂性，并且从第一个原理的这种材料的设计仍然是罕见的（1-5）。同样，实验复杂性与变量的数量呈指数级，限制大多数搜索到窄的材料空间区域。机器人可以协助实验搜索（6-14），但由于样品类型，操作，仪器和测量的多样性，他们在材料研究中的广泛采用是具有挑战性的。在这里，我们使用移动机器人寻找改进的光催化剂，用于水（15）的氢气产生。机器人在八天内自动操作，在10变量的实验空间内执行688个实验，由批量贝叶斯搜索算法（16-18）驱动。这种自主搜索鉴定的光催化剂Mixturesthat比初始制剂更活跃六倍，选择有益的组件并取消选择阴性组分。我们的策略采用Dexterous（19,20）的自由漫游机器人（21-24），自动化研究员尚是乐器。这种模块化方法可以在传统的实验室部署，以便在光催化超出超出光催化的研究问题。

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  • 来源
    《Nature》 |2020年第7815期|237-241|共5页
  • 作者

    Burger Benjamin; Maffettone Phillip M.; Gusev Vladimir V.; Aitchison Catherine M.; Bai Yang; Wang Xiaoyan; Li Xiaobo; Alston Ben M.; Li Buyi; Clowes Rob; Rankin Nicola; Harris Brandon; Sprick Reiner Sebastian; Cooper Andrew I.;

  • 作者单位

    Univ Liverpool Mat Innovat Factory Leverhulme Ctr Funct Mat Design Liverpool Merseyside England|Univ Liverpool Dept Chem Liverpool Merseyside England;

    Univ Liverpool Mat Innovat Factory Leverhulme Ctr Funct Mat Design Liverpool Merseyside England|Univ Liverpool Dept Chem Liverpool Merseyside England;

    Univ Liverpool Mat Innovat Factory Leverhulme Ctr Funct Mat Design Liverpool Merseyside England|Univ Liverpool Dept Chem Liverpool Merseyside England;

    Univ Liverpool Mat Innovat Factory Leverhulme Ctr Funct Mat Design Liverpool Merseyside England|Univ Liverpool Dept Chem Liverpool Merseyside England;

    Univ Liverpool Mat Innovat Factory Leverhulme Ctr Funct Mat Design Liverpool Merseyside England|Univ Liverpool Dept Chem Liverpool Merseyside England;

    Univ Liverpool Mat Innovat Factory Leverhulme Ctr Funct Mat Design Liverpool Merseyside England|Univ Liverpool Dept Chem Liverpool Merseyside England;

    Univ Liverpool Mat Innovat Factory Leverhulme Ctr Funct Mat Design Liverpool Merseyside England|Univ Liverpool Dept Chem Liverpool Merseyside England;

    Univ Liverpool Mat Innovat Factory Leverhulme Ctr Funct Mat Design Liverpool Merseyside England|Univ Liverpool Dept Chem Liverpool Merseyside England;

    Univ Liverpool Mat Innovat Factory Leverhulme Ctr Funct Mat Design Liverpool Merseyside England|Univ Liverpool Dept Chem Liverpool Merseyside England;

    Univ Liverpool Mat Innovat Factory Leverhulme Ctr Funct Mat Design Liverpool Merseyside England|Univ Liverpool Dept Chem Liverpool Merseyside England;

    Univ Liverpool Mat Innovat Factory Leverhulme Ctr Funct Mat Design Liverpool Merseyside England|Univ Liverpool Dept Chem Liverpool Merseyside England;

    Univ Liverpool Mat Innovat Factory Leverhulme Ctr Funct Mat Design Liverpool Merseyside England|Univ Liverpool Dept Chem Liverpool Merseyside England;

    Univ Liverpool Mat Innovat Factory Leverhulme Ctr Funct Mat Design Liverpool Merseyside England|Univ Liverpool Dept Chem Liverpool Merseyside England;

    Univ Liverpool Mat Innovat Factory Leverhulme Ctr Funct Mat Design Liverpool Merseyside England|Univ Liverpool Dept Chem Liverpool Merseyside England;

  • 收录信息 美国《科学引文索引》(SCI);美国《工程索引》(EI);美国《生物学医学文摘》(MEDLINE);美国《化学文摘》(CA);
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