Applications are invited for a postdoctoral researcher in the computational materials science unit, Energy Storage Laboratory of Korea Institute of Energy Research (KIER) in Daejeon, Republic of Korea, with starting date in the Spring (March) of 2016 for postdoc. The position is for one year, with possible reappointment by mutual agreement between the PI and the postdoctoral researcher.

The succcessful candidate will work in a multidisciplinary (theory+experiments) team on advanced functional materials for oxidative coupling of methane (OCM). He/She will i) investigate reaction mechanisms of potential materials candidates to establish design principles, and ii) apply the principles to screen new materials using high-throughput approachs. Specific activities will include calculations of surface properties of the materials (surface structures, thermodynamic stability, defects, surface catalytic reactions), determination of materials descriptors to design new OCM materials.

Additionally, working environment of KIER (please find the link below), in which various energy-related research projects are available, provides excellent extra opportunities of active colloaborations with experimental/theory teams in KIER and elsewhere. Potential collaborations include atomic-level calculations for fuel-cell (e.g. SOFC) materials, catalysts, and energy storage materials [secondary batteries (ion, air, and flow) and ultracapacitors], and high-throughput screening/materials informatics.

The successful candidate will have a Ph.D. degree in Materials Science/Chemical Engineering/Physics/Chemistry or in a closely-related area, i) in depth knowledge of electronic structure calculations in complex solids (mostly oxides), ii) working knowledge on modelling of surface catalytic reactions, defects, doping, and ionic transport in bulk materials and at interfaces, and iii) programming python codes and or applying existing computational environments (e.g. AiiDA, ASE, Pymatgen) to fascilitate high-throughput screening of materials. He/she will have a strong publication track record, a demonstrated commitment to excellence, and exceptional skills in computational materials science. They will be expected to work in a multidisciplinary research team in KIER and elsewhere, and thus effect communication skills are anticipated.