Atomistix ToolKit

QuantumATK (formerly Atomistix ToolKit or ATK) is a commercial software for atomic-scale modeling and simulation of nanosystems. The software was originally developed by Atomistix A/S, and was later acquired by QuantumWise following the Atomistix bankruptcy.{{Cite web | url=http://quantumwise.com/component/content/article/6-announcement-from-the-ceo |title = QuantumATK Atomic-Scale Modeling for Semiconductor & Materials}} QuantumWise was then acquired by Synopsys in 2017.{{Cite web|url=https://news.synopsys.com/2017-09-18-Synopsys-Strengthens-Design-Technology-Co-Optimization-Solution-with-Acquisition-of-QuantumWise|title=Synopsys Strengthens Design-Technology Co-Optimization Solution with Acquisition of QuantumWise}}

Atomistix ToolKit is a further development of TranSIESTA-C, which in turn in based on the technology, models, and algorithms developed in the academic codes TranSIESTA,{{cite journal|doi=10.1103/PhysRevB.65.165401|arxiv=cond-mat/0110650|bibcode=2002PhRvB..65p5401B|title=Density-functional method for nonequilibrium electron transport|journal=Physical Review B|volume=65|issue=16|pages=165401|year=2002|last1=Brandbyge|first1=Mads|last2=Mozos|first2=José-Luis|last3=Ordejón|first3=Pablo|last4=Taylor|first4=Jeremy|last5=Stokbro|first5=Kurt|s2cid=44943573}} and McDCal,{{cite journal | url=https://dx.doi.org/10.1103/PhysRevB.63.245407 | doi=10.1103/PhysRevB.63.245407 | title=Ab initiomodeling of quantum transport properties of molecular electronic devices | year=2001 | last1=Taylor | first1=Jeremy | last2=Guo | first2=Hong | last3=Wang | first3=Jian | journal=Physical Review B | volume=63 | issue=24 | page=245407 | bibcode=2001PhRvB..63x5407T | hdl=10722/43343 | hdl-access=free }} employing localized basis sets as developed in SIESTA.{{cite journal | url=https://dx.doi.org/10.1088/0953-8984/14/11/302 | doi=10.1088/0953-8984/14/11/302 | title=The SIESTA method forab initioorder-Nmaterials simulation | year=2002 | last1=Soler | first1=José M. | last2=Artacho | first2=Emilio | last3=Gale | first3=Julian D. | last4=García | first4=Alberto | last5=Junquera | first5=Javier | last6=Ordejón | first6=Pablo | last7=Sánchez-Portal | first7=Daniel | journal=Journal of Physics: Condensed Matter | volume=14 | issue=11 | pages=2745–2779 | arxiv=cond-mat/0104182 | bibcode=2002JPCM...14.2745S | s2cid=250812001 }}