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C++ & Python API for Scientific I/O with openPMD
openPMD is an open metadata format for open data workflows in open science. This library provides a common high-level API for openPMD writing and reading. It provides a common... -
C++ & Python API for Scientific I/O with openPMD
openPMD is an open metadata format for open data workflows in open science. This library provides a common high-level API for openPMD writing and reading. It provides a common... -
Sparse tensor based nuclear gradients for periodic Hartree–Fock and low-scali...
The development of novel double-hybrid density functionals offers new levels of accuracy, and is leading to fresh insights into the fundamental properties of matter.... -
Reconstituted lipoprotein particles - Implications of structure and dynamics ...
Neutron scattering will allow to advance the understanding of lipoprotein behavior in solution and at the interface of relevant biological interfaces. Here we focus on HDL... -
Quantum ESPRESSO at the exascale
Quantum ESPRESSO is an open-source distribution of computer codes for quantum-mechanical materials modeling, based on density-functional theory, pseudo-potentials, and plane... -
Scalable, Data Driven Plasma Simulations with PIConGPU
PIConGPU is an open source, multi-platform particle-in-cell code scaling to the fastest supercomputers in the TOP500 list. We present the architecture, novel developments, and... -
EZ publication: source code, profiling, analysis and simulation data
Data of the PIConGPU simulations as used in the publication: EZ: An Efficient, Charge Conserving Current Deposition Algorithm for Electromagnetic Particle-In-Cell... -
LWFA PIConGPU setup for minimizing transverse phase space effects paper
This repository contains the PIConGPU source code and setup files used for the "Minimizing transverse phase space effects on beam-loaded laser-wakefield accelerated...