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Stochastic and low-scaling techniques/extended systems: general discussion.

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Title: Stochastic and low-scaling techniques/extended systems: general discussion.
Authors: Alavi, Ali, Atalar, Kemal, Berkelbach, Timothy C., Booth, George H., Chen, Ji, Danilov, Don, Dobrautz, Werner, Evangelista, Francesco A., Harsha, Gaurav, Kapil, Venkat, Liao, Ke, Loos, Pierre-François, Nandipati, Krishna Reddy, Plasser, Felix, Prentice, Andrew W., Reiher, Markus, Rubenstein, Brenda, Shi, Benjamin Xu, Thom, Alex J. W., Wang, Zikuan
Source: Faraday Discussions; 2024, Issue 254, p570-585, 16p
Abstract: The Faraday Discussions article discusses the general discussion on stochastic and low-scaling techniques for extended systems. Researchers explored various kernels and global descriptors to predict energy accurately. They found that global descriptors performed better for energy prediction, especially in homogeneous systems. The methodology was tested on hydrogen chains and showed promise for accurately representing wavefunctions and potential energy surfaces. The approach was found to be data-efficient and could potentially be applied to more complex systems in the future. [Extracted from the article]
Copyright of Faraday Discussions is the property of Royal Society of Chemistry and its content may not be copied or emailed to multiple sites or posted to a listserv without the copyright holder's express written permission. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract. (Copyright applies to all Abstracts.)
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  Data: Stochastic and low-scaling techniques/extended systems: general discussion.
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  Data: Faraday Discussions; 2024, Issue 254, p570-585, 16p
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  Data: The Faraday Discussions article discusses the general discussion on stochastic and low-scaling techniques for extended systems. Researchers explored various kernels and global descriptors to predict energy accurately. They found that global descriptors performed better for energy prediction, especially in homogeneous systems. The methodology was tested on hydrogen chains and showed promise for accurately representing wavefunctions and potential energy surfaces. The approach was found to be data-efficient and could potentially be applied to more complex systems in the future. [Extracted from the article]
– Name: Abstract
  Label:
  Group: Ab
  Data: <i>Copyright of Faraday Discussions is the property of Royal Society of Chemistry and its content may not be copied or emailed to multiple sites or posted to a listserv without the copyright holder's express written permission. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract.</i> (Copyright applies to all Abstracts.)
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        Value: 10.1039/d4fd90043j
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        Text: English
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        PageCount: 16
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            – D: 01
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              Text: 2024
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