• Atomate

  • Referenced in 3 articles [sw32763]
  • absorption (XAS), Electron energy loss (EELS) and Raman spectra. One of the major features...
  • Eel

  • Referenced in 1 article [sw15214]
  • language for expressing reversibility, Energy-Efficient Language (Eel), geared toward algorithm design and implementation ... Eel is the first language to take advantage of a partially reversible computation model, where ... handle programs of varying degrees of reversibility, Eel supports a log stack to automatically trade ... compiler for the three language levels of Eel along with an interpreter to simulate...
  • OptaDOS

  • Referenced in 2 articles [sw16785]
  • loss electron energy loss spectra (EELS) and optical spectra along with total-, projected- and joint...
  • CASTEP

  • Referenced in 15 articles [sw18310]
  • First-principles simulation: ideas, illustrations and the CASTEP...