calorine is primarily developed at the Department of Physics of Chalmers University of Technology in Gothenburg, Sweden with funding from the Knut och Alice Wallenbergs Foundation, the Swedish Research Council, the Swedish Foundation for Strategic Research, and the National Academic Infrastructure for Supercomputing in Sweden.

When using calorine in your research please cite the following paper:

  • GPUMD: A package for constructing accurate machine-learned potentials and performing highly efficient atomistic simulations
    Fan et al.
    Journal of Chemical Physics 157, 114801 (2022)
    doi: 10.1063/5.0106617