MALAMP aims at bringing together a scientific team of diverse experience in condensed matter physics, chemistry, and biochemistry, with the goal developing new ML interatomic potentials: one is the Cu-Mn-Fe-Co-Ni high-entropy alloy (HEA), which is a more sustainable variant of the well-known Cantor HEA; the second concerns ionic fluorine diffusion in cathodes and solid electrolytes, which could constitute future replacement of lithium in next-generation batteries. A third branch of MALAMP will focus on protein-protein interaction, to identify which specific interface residues of protein–protein complexes form the hot spots, which is critical for understanding the principles of protein interactions.
