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simulations and large-scale DFT calculations at finite temperature using the Special Displacement Method (SDM) and its anharmonic extension (ASDM). Model polymorphous structures beyond the standard monomorphous
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modelling, including the interpretation of optical, mechanical, thermal, or structural simulation outputs. Position Preferred Qualifications: Programming skills (Python and/or MATLAB). Experience with
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energy storage and other renewable energy applications. The work will involve extensive test runs of software developed, aligned with simulations and modelling results generated from scientists at PROTEAS
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