Team
The main developers hub is at the solid-state theory group of the Physics Department, Humboldt-Universität zu Berlin. The team consists of
- Pasquale Pavone: structure optimization, phonons, code management & more
- Santiago Rigamonti: time-dependent DFT, cluster expansion (CELL)
- Sven Lubeck: 2nd variation, basis sets, vdW corrections
- Sebastian Tillack: DFTP, electron-phonon interaction, Wannier interpolation
- Benedikt Maurer: Bethe-Salpeter equation, test suite
- Cecilia Vona: hybrid functionals, spin-orbit coupling
- Ignacio Gonzalez Oliva: electron-phonon interaction
- Hannah Kleine: basis sets, test suite, GW
- Mao Yang: exciton-phonon coupling
- Manoar Hossain: GW method
- Nakib Haider Protik: electron and heat transport
- Fabian Peschel: excitingtools, workflows
- Daniel Speckhard: excitingtools, workflows
- Martin Kuban: excitingtools, Jupyter tutorials
- Ben Alex: GW, band-structure unfolding
- Elisa Stephan: basis sets, GW
- Antonio Cillis: real time TDDFT
- Mara Voiculescu: symmetry, Jupyter tutorials
- Adrian Stroth: cluster expansion
- Jennifer Peschel: testing
- Claudia Draxl: concepts, general management & more
Electronic Structure group at the Department of Physics, University of Latvia
- Andris Gulans: exascale libraries, iterative eigensolver, spin-orbit interaction, basis sets, radial solver, and more
- Jānis Užulis: radial solvers, hybrid functionals
- Davis Zavickis: hybrid functionals, adaptively-compressed exchange
- Kristians Kacars: Coulomb cutoffs
Zuse Institute Berlin
- Ronaldo Rodrigues Pelá: real-time TDDFT, Ehrenfest dynamics, constraint DFT, LDA-1/2
University Hamburg
- Daria Gorelova: Utrafast light-matter interaction
- Nasrin Farahani: Core spectroscopy
- Dmitrii Tumakov: Excitation dynamics
Max Planck Institute for the Structure and Dynamics of Matter
- Alexander Buccheri: benchmarks, excitingtools
Former developers:
- Julian Komaromy (HU Berlin): code refactoring
- Maximilian Schebek (HU Berlin): lattice screening in BSE, electron-phonon interaction
- Alex Buccheri (HU Berlin): GW, excitingtools, workflows, test suite
- Keith Gilmore (HU Berlin): Bethe-Salpeter equation, pump-probe spectrocopy
- Maria Troppenz (HU Berlin): cluster expansion, Boltzmann transport equation
- Christian Vorwerk (HU Berlin): core excitations, RIXS
- Fabio Caruso (HU Berlin): electron-phonon coupling
- Clas Persson (Royal Institute of Technology, Stockholm): k.p@LAPW, band characters
- Dmitrii Nabok (HU Berlin): GW, exciton analysis, van-der-Waals density functional
- Jongmin Kim (HU Berlin): van der Waals interaction, mixing
- Benjamin Aurich (HU Berlin): BSE extensions
- Ute Werner (HU Berlin): exact exchange, density functionals
- Stefan Kontur (HU Berlin): Raman scattering
- Rostam Golesorkhtabar (HU Berlin): elastic properties, stress/strain
- Weine Olovsson (Linköping University): core-level spectra, Bethe-Salpeter equation
- Jürgen Spitaler (Materials Center Leoben): k.p@LAPW
- Christian Meisenbichler (Montanuniversität Leoben): XML, source-code management, automated tests, parallelization, mixing
- Stephan Sagmeister (Montanuniversität Leoben): TDDFT, Bethe-Salpeter equation
We appreciate financial support from the European Union’s Horizon program through the NOMAD Center of Excellence, grant agreement Nº 951786 and the German Research Foundation (DFG), project 182087777 (SFB HIOS). Previous grants were obtained from the Leibniz ScienceCampus GRaFOx, the DFG, 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).