Zobrazeno 1 - 2
of 2
pro vyhledávání: '"Brendan McMorrow"'
Autor:
James Kirkpatrick, Brendan McMorrow, David H. P. Turban, Alexander L. Gaunt, James S. Spencer, Alexander G. D. G. Matthews, Annette Obika, Louis Thiry, Meire Fortunato, David Pfau, Lara Román Castellanos, Stig Petersen, Alexander W. R. Nelson, Pushmeet Kohli, Paula Mori-Sánchez, Demis Hassabis, Aron J. Cohen
Publikováno v:
Science. 377
Gerasimov et al . claim that the ability of DM21 to respect fractional charge (FC) and fractional spin (FS) conditions outside of the training set has not been demonstrated in our paper. This is based on (i) asserting that the training set has a ~50%
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::d8f2c25468e6e9034a65f4ece8ea9776
https://doi.org/10.1126/science.abq4282
https://doi.org/10.1126/science.abq4282
Autor:
James Kirkpatrick, Brendan McMorrow, David H. P. Turban, Alexander L. Gaunt, James S. Spencer, Alexander G. D. G. Matthews, Annette Obika, Louis Thiry, Meire Fortunato, David Pfau, Lara Román Castellanos, Stig Petersen, Alexander W. R. Nelson, Pushmeet Kohli, Paula Mori-Sánchez, Demis Hassabis, Aron J. Cohen
Publikováno v:
Science (New York, N.Y.). 374(6573)
Improving DFT with deep learning In the past 30 years, density functional theory (DFT) has emerged as the most widely used electronic structure method to predict the properties of various systems in chemistry, biology, and materials science. Despite
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::dd2a622f2822a89170e7d0b63f25a719
https://pubmed.ncbi.nlm.nih.gov/35926047
https://pubmed.ncbi.nlm.nih.gov/35926047