Redefining the state of the art in crystal free energy calculations
A collaboration by researchers from Avant-Garde Materials Simulation (AMS), the University of Luxembourg, and partners in the pharmaceutical sector has redefined the state of the art for calculating free energies in molecular crystals. Published recently in Nature, the study has shown that computer simulations that take into account real-world temperature and humidity conditions can accurately predict crystal form stability relevant for pharmaceutical applications.
read more
