Paul Scherrer Institute
Villigen, Switzerland
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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
- + 13
8
3545
Independent Parallel Particle Layer (IPPL)
IPPL is a C++ library to develop performance portable code for fully Eulerian, Lagrangian or hybrid Eulerian-Lagrangian methods. IPPL supports simulations in one to six dimensions, mixed precision, and asynchronous execution in different execution spaces (e.g. CPUs and GPUs).
- Computational Fluid Dynamics
- GPU
- High performance computing
- + 5
- C++
- TeX
- CMake
- + 3
23
1
PtyLab.m/py/jl
A cross-platform, open-source inverse modeling toolbox for conventional and Fourier ptychography
- computational physics
- Data analysis
- Data Visualization
- + 10
- Jupyter Notebook
- Python
14
6