To date, the program for the development of methods and models for atomistic and continuum simulation directed toward chemicals and materials has reached an incredible degree of sophistication and maturity. Currently, one can witness an increasingly rapid emergence of advances in computing, artificial intelligence, and robotics. This drives us to consider the future of computer simulation of matter from the molecular to the human length and time scales in a radical way that deliberately dares to go beyond the foreseeable next steps in any given discipline. This perspective article presents a view on this future development that we believe is likely to become a reality during our lifetime.

中文翻译：

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物质模拟（R）演变。

迄今为止，针对化学和材料的用于原子和连续体模拟的方法和模型的开发程序已经达到了令人难以置信的复杂性和成熟度。当前，人们可以看到计算，人工智能和机器人技术的进步越来越迅速地出现。这驱使我们考虑从根本上敢于超越任何给定学科中可预见的下一步的根本方法，即从分子到人类的长度和时间尺度的计算机模拟物质的未来。这篇观点文章提出了对这一未来发展的看法，我们相信在我们的一生中可能会成为现实。