| 查看: 617 | 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
存款400万可以在学校里躺平吗
已经有15人回复
-
拟解决的关键科学问题还要不要写
已经有6人回复
-
Materials Today Chemistry审稿周期
已经有6人回复
-
基金委咋了？2026年的指南还没有出来？
已经有10人回复
-
基金申报
已经有6人回复
-
推荐一本书
已经有13人回复
-
国自然申请面上模板最新2026版出了吗？
已经有17人回复
-
纳米粒子粒径的测量
已经有8人回复
-
疑惑？
已经有5人回复
-
计算机、0854电子信息（085401-058412）调剂
已经有5人回复
2楼2008-12-24 15:02:03