His main interest is the density-functional calculation of multiferroics and magnetoelectric materials. His aim is to clarify the mechanism of cross-coupling effect between magnetism, ferroelectricity, and charge/orbital order. He also works on symmetry analysis on ferroelectric transition by using Landau theory.

Interplay between Charge Order, Ferroelectricity, and Ferroelasticity: Tungsten Bronze Structures as a Playground for Multiferroicity, K. Yamauchi and S. Picozzi, Physical Review Letters, 105, 107202 (2010).

Bandstructure and Fermi Surfaces of CeRh3B2, K. Yamauchi, A. Yanase and H. Harima, Journal of the Physical Society Japan, 79, 044717 (2010).

Magnetic anisotropy in Li-phosphates and origin of magnetoelectricity in LiNiPO4, K. Yamauchi and S. Picozzi, Physical Review B, 81, 024110 (2010).

Ferroelectricity in multiferroic magnetite Fe3O4 driven by noncentrosymmetric Fe2+/Fe3+ charge-ordering: First-principles study, K. Yamauchi, T. Fukushima and S. Picozzi, Physical Review B, 79, 212404 (2009).

Magnetically induced ferroelectricity in orthorhombic manganites: Microscopic origin and chemical trends, K. Yamauchi, F. Freimuth, S. Blugel and S. Picozzi, Physical Review B, 78, 014403 (2008).

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