All software
CP2K
CP2K is a quantum chemistry and solid state physics software package running on graphics processing units and thousands of processing units. It is open-source and allows simulations, spectroscopy, vibrational analysis and energy minimization on a vast variety of theory levels.
- electronic structure
- GPU
- High performance computing
- + 5
- Fortran
- C
- Python
- + 12
PIConGPU
PIConGPU is a relativistic Particle-in-Cell code running on graphic processing units as well as regular multi-core processors. It is Open Source und is freely available for download. It can be used to study plasmas with relativistic dynamics, solving the Maxwell-Vlasov system of equations.
- C++
- CPU
- GPU
- + 9
- C++
- Python
- Shell
- + 6
Representation of Protein Entities (RoPE)
RoPE clusters related protein structures on torsion angles to derive an interpretable, mathematical conformational space of that protein, revealing relevant protein dynamics.
- C++
- Data analysis
- Data Visualization
- + 4
- C++
- C
- GLSL
- + 4
HoloWizard
HoloWizard is a software to reconstruct near-field holograms form x-ray microscopy experiments and other sources.
- Near-field holography
- Phase problem
- Phase retrieval
- + 2
- Python
- HTML
- Shell
PLUG2
Multitau and two-time correlation function computations for XPCS experiments
- Data analysis
- Matter
- XPCS
- C++
- Nix
- CMake
- + 2