Bibliographic Details
| 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] |
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| Database: |
Complementary Index |
