ATLAS - Automated high-throughput platform suite for accelerated molecular systems discovery

材料设计的空间太大，无法进行经验探索。虽然实验工作可以通过计算建模来指导，以使这一挑战更站得住脚，但测试/合成的数量在实验时间尺度上可能仍然太大。该项目的目标是将联合收割机计算工具（如分子建模、工艺建模、计算机辅助设计）与自动HT合成和筛选平台相结合，以推动和加速新材料的发现和优化。具体而言，ATLAS（自动高通量pLatform套件）将包括三个机器人工作站，专门用于材料的合成（两个平台）和筛选（一个平台）。它将位于帝国理工学院南肯辛顿校区，并与材料表征设备配对，由于专用的自动采样站，能够处理许多样品。通过执行数据丰富的实验，ATLAS将加快创新步伐，同时提高可重复性。ATLAS支持的研究将首先针对与新药、可持续聚合物和清洁能源材料的发现和优化相关的挑战。

The materials design space is too large to be explored empirically. While experimental work can be directed by computational modeling to make this challenge more tenable, the number of tests/syntheses may still be too large on an experimental time-scale. The goal of this project is to combine computational tools (e.g. molecular modelling, process modelling, computer-aided design) and automated HT synthesis and screening platforms to drive and accelerate the discovery and optimisation of new materials.Specifically, ATLAS (Automated high-Throughput pLatform Suite) will comprise three robotic stations dedicated to the synthesis (two platforms) and screening (one platform) of materials. It will be located at Imperial College South Kensington Campus and be paired with materials characterisation equipment able to handle many samples owing to dedicated auto-sampling stations. By executing data-rich experiments, ATLAS will increase the pace of innovation, while enhancing reproducibility.The research enabled by ATLAS will initially target challenges related to the discovery and optimisation of new medicines, sustainable polymers and clean energy materials.