The 2015 issue Materials for Energy Harvesting, Conversion and Storage [1] was the subject of a thematic opening on the coupling between materials and energy. We have largely emphasized the complementarity of a crossed view between mathematics and physics as well as the path towards applications of technological breakdown such as nanomaterials for energy [1][2][3]. It included work on phase change materials [5][6][7] photovoltaic materials [8][9][10][11][12][13] and plant composites (biosourced materials) [14]. This special edition is a continuation and is intended as a snapshot of some advances at the material/energy interface. It will also aim to stimulate the interest of young researchers in an investment from a multidisciplinary point of view in order to meet the new challenges presented by the open questions at the border of their own discipline.This approach is illustrated here in particular for problems of anisothermal fluid physics, heat and mass transfer in porous media, biosourced materials and their thermo-physical properties, towards thermodynamic cycles for alternative energies, exchangers for power plant exchangers, the theme of solar and photovoltaics, etc. These are applications where physics will continue to play a leading role in understanding the phenomena and developing new solutions. These subjects inevitably integrate societal choices that are increasingly influenced by the participatory citizenship. It requires to be extended to the fields of energy mutation, materials, their natural and omnipresent coupling, Impact on its economy, health and environment. Energy strategies are becoming a major issue for established and transforming democracies and a determining factor in peace and social justice in the world.Scientific methodology, increasingly benefiting from new algorithmic, numerical methods and material advances, is gaining relevance for experimentation and modeling in order to reach fine scales and unravel complex behaviors. These advances are sometimes made certain with a certain delay according to the disciplines. The introduction in this issue of the Lattice Boltzmann Method (LBM) [15] deserves a freeze. This is a different view on the method of solving matter conservation problems treated by coupled partial differential equations. LBM completes the MD method and offers an alternative way of solving problems in a physically accessible way, and in this respect arouses the interest of many researchers in digital physics, especially for complex geometric structures or with many degrees of freedom.