GPU-accelerated Quantum ESPRESSO using CUDA FORTRAN

A FORTRAN module to write Numpy's *.npy and *.npz files

Case studies constitute a modern interdisciplinary and valuable teaching practice which plays a critical and fundamental role in the development of new skills and the formation of new knowledge. This research studies the behavior and performance of two interdisciplinary and widely adopted scientific kernels, a Fast Fourier Transform and Matrix M…

Simple Tight-binding

AiiDA data plugin for pandas DataFrame objects