QMCkl – Quantum Monte Carlo Kernel Library
The domain of quantum chemistry needs a library in which the main kernels of Quantum Monte Carlo (QMC) methods are implemented. In the library are provided a standard API and tests to enable the development of high-performance QMCkl implementations taking advantage of modern hardware.
CoE: TREX
This website is created and maintained by the project FocusCoE. FocusCoE has received funding from the European Union’s Horizon 2020 research and innovation programme under the grant agreement Nº 823964. 