Zobrazeno 1 - 3
of 3
pro vyhledávání: '"Poulton, Jack T. L."'
Autor:
Nakata, Ayako, Baker, Jack, Mujahed, Shereif, Poulton, Jack T. L., Arapan, Sergiu, Lin, Jianbo, Raza, Zamaan, Yadav, Sushma, Truflandier, Lionel, Miyazaki, Tsuyoshi, Bowler, David R.
We survey the underlying theory behind the large-scale and linear scaling DFT code, Conquest, which shows excellent parallel scaling and can be applied to thousands of atoms with exact solutions, and millions of atoms with linear scaling. We give det
Externí odkaz:
http://arxiv.org/abs/2002.07704
Autor:
Bowler, David R., Baker, Jack S., Poulton, Jack T. L., Mujahed, Shereif Y., Lin, Jianbo, Yadav, Sushma, Raza, Zamaan, Miyazaki, Tsuyoshi
Given the widespread use of density functional theory (DFT), there is an increasing need for the ability to model large systems (beyond 1,000 atoms). We present a brief overview of the large-scale DFT code Conquest, which is capable of modelling such
Externí odkaz:
http://arxiv.org/abs/1908.02707
Autor:
Poulton, Jack T. L., Bowler, David R.
We have used density functional theory to study the energetics and electronic structure of aluminium dopants in crystalline silicon. We present data regarding the atomic and electronic structure and properties of pairs of substitutional aluminium dop
Externí odkaz:
http://arxiv.org/abs/1907.03636