| 查看: 630 | 回复: 1 | ||||
| 当前主题已经存档。 | ||||
[交流]
Some information about ATK and VNL
|
||||
|
Atomistix ToolKit (ATK), the engine behind Virtual NanoLab (VNL), is a further development of TranSIESTA-C. TranSIESTA-C, in turn, is based on the technology, models and algorithms developed in the academic codes TranSIESTA (and, in part, McDCal), employing localized basis sets as developed in SIESTA. On this page you find references to the background material describing the physics and algorithms behind Atomistix software, and a non-comprehensive list of scientific papers where ATK/TranSIESTA-C have been used by QuantumWise customers or partners. We have also included selected references to applications with TranSIESTA, since these demonstrate applications where ATK has similar capabilities. Methodology papers Applications of ATK/TranSIESTA-C Applications of TranSIESTA A proper citation to studies or publications where QuantumWise software has been used should include a reference to the version of the software used as well as to the most important methodology papers. We recommend users to cite Atomistix ToolKit version x.x, QuantumWise A/S (www.quantumwise.com). M. Brandbyge, J.-L. Mozos, P. Ordejón, J. Taylor, and K. Stokbro, Phys. Rev. B 65, 165401 (2002) J. M. Soler, E. Artacho, J. D. Gale, A. García, J. Junquera, P. Ordejón, and D. Sánchez-Portal, J. Phys. Condens. Matter 14, 2745 (2002). J. Taylor, H. Guo, and J. Wang, Phys. Rev. B 63, 245407 (2001). Methodology papersTranSIESTAMads Brandbyge, José-Luis Mozos, Pablo Ordejón, Jeremy Taylor, and Kurt Stokbro, Density-functional method for nonequilibrium electron transport, Physical Review B 65, 165401 (2002). Abstract Kurt Stokbro, Jeremy Taylor, Mads Brandbyge, and Pablo Ordejón, TranSIESTA: A Spice for Molecular Electronics, Ann NY Acad Sci 1006, 212-226 (2003). Abstract SIESTAJosé M Soler, Emilio Artacho, Julian D Gale, Alberto García, Javier Junquera, Pablo Ordejón, and Daniel Sánchez-Portal, The SIESTA method for ab initio order-N materials simulation, Journal of Physics: Condensed Matter 14, 2745-2779 (2002). Abstract McDCalJeremy Taylor, Hong Guo, and Jian Wang, Ab initio modeling of quantum transport properties of molecular electronic devices, Physical Review B 63, 245407 (2001). Abstract |
回复此楼» 收录本帖的淘帖专辑推荐
 Siesta（Transiesta、ATK） |
» 猜你喜欢
有时候真觉得大城市人没有县城人甚至个体户幸福
已经有11人回复
-
表哥与省会女结婚，父母去帮带孩子被省会女气回家生重病了
已经有7人回复
-
同年申请2项不同项目，第1个项目里不写第2个项目的信息，可以吗
已经有8人回复
-
依托企业入选了国家启明计划青年人才。有无高校可以引进的。
已经有7人回复
-
依托企业入选了国家启明计划青年人才。有无高校可以引进的。
已经有10人回复
-
天津大学招2026.09的博士生，欢迎大家推荐交流（博导是本人）
已经有9人回复
-
有院领导为了换新车，用横向课题经费买了俩车
已经有10人回复
-
AI 太可怕了，写基金时，提出想法，直接生成的文字比自己想得深远，还有科学性
已经有6人回复
2楼2008-12-24 15:02:03