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Applications are invited for postdoctoral researchers in the Advanced Materials Group (AMG) at the Faculty of Electrical Engineering, Czech Technical University in Prague, to work on atomistic simulations of advanced materials, under the supervision of Prof. Tomas Polcar. AMG is a well-established group and consists of dynamic and motivated researchers leading international collaborations on broad interdisciplinary topics. Research areas include the in silico design of smart self-assembling materials (e.g. carbon nanotubes, solid state perovskites and transition metal dichalcogenide heterostructures) for photovoltaic applications, combining theoretical approaches represented by advance nanoscale simulations and the exploration of the complex impact of photovoltaics on urban systems and architecture. Work will focus on the design of optically active centers (OAC) able to convert incoming photons into free electrons, as well as the study of the self-assembling processes occurring between the OAC, the conductive matrix and the substrate. Another available topic will concentrate on the interaction between helium and multilayer composite materials, ultimately determining the role of interfaces in He trapping and self-healing phenomena, providing useful information for nanoscale material design. Work will consist of screening preferential sites where He atoms settle in proximity of a bimetallic interface, studying the energetics of He atom diffusion near to and across the interface, and investigating mechanisms of nucleation and growth of He bubbles in close proximity to the interface. Job requirements Successful candidates must have a PhD in Physics, Chemistry, Materials Science or a closely related discipline. A strong background in solid-state density functional theory is mandatory. Experience in using hybrid QM/MM and/or large-scaling DFT methods represents a great advantage. Knowledge of classical simulation methods (i.e., using empirical or semi-empirical functionals) is a plus. Researchers are expected to perform calculations on Linux-based HPC architectures, as well as writing and submitting proposals to obtain access to HPC resources. Programming experience in widely-used scientific languages (Fortran, C, C++) together with knowledge of shell scripting in a UNIX environment is also desirable. Good knowledge of English, both written and oral, is compulsory. Contract details The positions will be available for up to three years, upon successful completion of a probationary first year. The salary will be very competitive at 1700-2100 EUR gross per month depending on candidate experience. How to apply The call is open immediately with an expected starting date in the first quarter of 2017. Your application must include: cover letter, CV, list of publications, at least 2 references and proof of completed PhD. Please direct all correspondence to [log in to unmask] To join or leave the molecular-dynamics-news email list, go to: http://www.jiscmail.ac.uk/lists/molecular-dynamics-news.html