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pro vyhledávání: '"Amanda Dumi"'
Autor:
Yilun Zhao, Yanan Guo, Yuan Yao, Amanda Dumi, Devin M Mulvey, Shiv Upadhyay, Youtao Zhang, Kenneth D Jordan, Jun Yang, Xulong Tang
Publikováno v:
2022 IEEE International Symposium on High-Performance Computer Architecture (HPCA).
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::80f8c3552690a03e37f34cb637dbb51e
https://doi.org/10.1109/hpca53966.2022.00059
https://doi.org/10.1109/hpca53966.2022.00059
Autor:
Amanda Dumi, Shiv Upadhyay, Leonardo Bernasconi, Hyeondeok Shin, Anouar Benali, Kenneth D. Jordan
In this work density functional theory (DFT) and diffusion Monte Carlo (DMC) methods are used to calculate the binding energy of a H atom chemisorbed on the graphene surface. The Perdew-Burke-Ernzerhof (PBE) value of the binding energy is about 20% l
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::71f92579fd55dc5589c2210f14623ffe
Publikováno v:
The Journal of chemical physics. 153(22)
The diffusion Monte Carlo (DMC), auxiliary field quantum Monte Carlo (AFQMC), and equation-of-motion coupled cluster (EOM-CC) methods are used to calculate the electron binding energy (EBE) of the non-valence anion state of a model (H$_2$O)$_4$ clust
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::e125a0c93070aa7b09e3fef11bf30507
https://pubmed.ncbi.nlm.nih.gov/33317292
https://pubmed.ncbi.nlm.nih.gov/33317292