WS22 database, Wigner Sampling and geometry interpolation for configurationally diverse molecular datasets

Posted on Posted in Featured Publication, News No Comments Tagged with ,
WS22 database, Wigner Sampling and geometry interpolation for configurationally diverse molecular datasets

Max Pinheiro Jr*†, Shuang Zhang†, Pavlo O. Dral, Mario Barbatti*. WS22 database: combining Wigner Sampling and geometry interpolation towards configurationally diverse molecular datasets. Sci. Data 2023, 10, 95. DOI: 10.1038/s41597-023-01998-3.

Blog post ›

Leave a Reply

Your email address will not be published. Required fields are marked *

*