Interactive quantum chemistry enabled by machine learning, graphical processing units, and cloud computing

U Raucci, H Weir, S Sakshuwong… - Annual Review of …, 2023 - annualreviews.org
Modern quantum chemistry algorithms are increasingly able to accurately predict molecular
properties that are useful for chemists in research and education. Despite this progress,
performing such calculations is currently unattainable to the wider chemistry community, as
they often require domain expertise, computer programming skills, and powerful computer
hardware. In this review, we outline methods to eliminate these barriers using cutting-edge
technologies. We discuss the ingredients needed to create accessible platforms that can …
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