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Python for Chemists

Published in ACS in focus • Aug 25, 2021
Authors:
Kiyoto Aramis Tanemura
,
Diego Sierra-Costa
,
Kenneth M. Merz

Abstract

Programming in Python empowers chemists to apply their domain knowledge to scales unreachable by manual effort. Learning Python is easy, but contextualizing chemical problems in Python is not always obvious. Readers of this primer develop the skill to identify problems in their research for which co...

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