Titlebook: Computational Materials, Chemistry, and Biochemistry: From Bold Initiatives to the Last Mile; In Honor of William Sadasivan Shankar,Richar

教育学

Book 2021xamines his legacy in each area, from conceptualization (the first mile)to developments and extensions aimed at applications, and lastly to de novo design (the last mile). Goddard’s passion for science, his insights, and his ability to actively engage with his collaborators in bold initiatives is a

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0933-033X d extensions aimed at applications, and lastly to de novo design (the last mile). Goddard’s passion for science, his insights, and his ability to actively engage with his collaborators in bold initiatives is a 978-3-030-18780-4978-3-030-18778-1Series ISSN 0933-033X Series E-ISSN 2196-2812

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Machine Learning Corrections for DFT Noncovalent Interactionsble computational methods are being pursued to meet this challenge, but the accuracy of calculations based on low levels of theory is not satisfactory and calculations based on high levels of theory are often too costly. Accordingly, to reduce the cost and increase the accuracy of low-level theoreti

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