At the institute he developed a quantum mechanical approach to X-ray scattering in extension of Laue's classical dynamic theory of diffraction.
[2] (At KWI, his younger brother Kurt Molière (1912–1994) completed his doctoral dissertation in 1939 on a related subject and after World War II headed a department.
[3] At the KWI for Physics, Molière devoted himself (at the suggestion of Werner Heisenberg) to researching cosmic radiation and the associated high-altitude showers.
His best-known publications date from the period immediately after the war and deal with the problem of quantum mechanical individual [6] and multiple scattering.
From October 1951, at Heisenberg's request, the Max Planck Society financed Molière's research by repeatedly renewing temporary contracts.