FMOkit is a command-line toolkit written in Python for both preprocessing and postprocessing of Fragment Molecular Orbital(FMO) calculations. Generates GAMESS input files for FMO calculations from the ...

Abstract: Advances in ultrasonics, that have been translated to new techniques for ultrasound image acquisition and its post-processing, have been done not only by the use of hardware developments and ...

This framework is designed to evaluate the morphology of 3D-printed thermomagnetic heat exchanger components. The 3D extrusion and post heat treatment process may introduce defects that impact heat ...

Abstract: Spectral pixels are often a mixture of the pure spectra of the materials, called endmembers, due to the low spatial resolution of hyperspectral sensors, double scattering, and intimate ...