Developers Team

The main developers hub is at the Department of Physics, Humboldt-Universität zu Berlin. The team consists of

  • Dmitrii Nabok: GW, van-der-Waals density functional
  • Andris Gulans: radial solver, van der Waals interaction, random-phase approximation
  • Santiago Rigamonti: time-dependent DFT, cluster expansion
  • Pasquale Pavone: structure optimization, phonons, code management & more
  • Christian Vorwerk: core excitations
  • Maria Troppenz: cluster expansion
  • Ronaldo Pelá: LDA-1/2
  • Sven Lubeck: vdW functionals
  • Matteo Guzzo: spectral functions
  • Benjamin Aurich: BSE extensions
  • Albin Hetrich: Raman spectroscopy
  • Olga Turkina: constraint DFT
  • Bernhard Klett: constraint DFT
  • Claudia Draxl: concepts, general management & more

Former developers:

  • Ute Werner: exact exchange, density functionals
  • Stephan Sagmeister: TDDFT, Bethe-Salpeter equation
  • Stefan Kontur: Raman scattering
  • Rostam Golesorkhtabar: elastic properties, stress/strain
  • Christian Meisenbichler: BSE, organization, parallelization, mixing, XML, source-code management, automated tests
  • Weine Olovsson (Linköping University): core-level spectra, Bethe-Salpeter equation
  • Jürgen Spitaler (Materials Center Leoben): k.p@LAPW, cluster expansion

Further contributors in the past:

  • Clas Persson (Royal Institute of Technology, Stockholm): k.p@LAPW, band characters
  • Hong Li: interface to ASE, exciting@web
  • Zohreh Basirat: templating
  • Giulio Biddau: atomic constraints
  • Pablo Garcia-Risueño: many-body theory, linear response

Collaborations within the PRACE Initiative of the EU:

  • Thomas Schulthess and Anton Kozhevnikov (Swiss National Supercomputing Centre & ETH-Zürich)
  • Georg Huhs (Barcelona Supercomputing Center)

We thank Laurence Marks to make the secant Broyden mixing routines available.
We thank Ricardo Gomez-Abal and Xinzheng Li for providing us with the tetrahedron integration library prior to publication.

We appreciate support from the Austrian Science Fund (FWF, project no. P16227), the EU through the Research and Training Network EXC!TING (contract HPRN-CT-2002-00317), the Styrian Federal Government (project SimEx), and the Austrian Research Promotion Agency (FFG, project AtoMat).

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