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PhD position in computational molecular design ... (No replies)

prokophapala
2 years ago
prokophapala 2 years ago

The Institute of Physics of the Czech Academy of Sciences is looking for 2 PhD students to participate in 5 year project Computer Aided Design of Templated Assembling, Replication and Synthesis on Ionic Substratesunder supervision of Prokop Hapala. The project aims to computationally develop an universal molecular architecture inspired by DNA-origami for assembling molecular components into larger functional systems (e.g. computer circuits) on ionic substrates. Key part of the project is development of novel QM/MM simulation package integrating DFT/DFTB methods with classical force fields to streamline molecular design in anhydrous environment.

Job description

    • Running computer simulations of non-covalent and covalent interactions between molecules on ionic substrate using DFT/DFTB and classical forcefield methods
    • Participate in design of molecular structure to optimize deterministic self-assembling
    • Participate in development of new simulation software
    • data analysis of computational results and collaboration with AFM/STM experiments
    • Participate in writing research articles and presenting results on conferences

Your profile

    • Master degree in natural science or technology
    • Knowledge of chemistry, physics and/or computer science
    • Especially we welcome programming experience in Python (numpy), C/C++, Fortran, GPU programming (OpenCL/CUDA) and/or will to learn it
    • Good spoken and written English
    • Initiative, creativity and ability to solve problems independently

We offer

    • Opportunity to achieve a major breakthrough in nanofabrication
    • PhD fully funded for 4 years (till 2026)
    • Collaboration with top labs in field of on-surface chemistry and AFM/STM microscopy
    • training and development opportunities (soft skills, language courses)
    • flexible working hours with home office possibility
    • plenty of opportunities for cultural and other activities in the Prague region
    • more information is available at: Why FZU?

How to apply

Before 20.3.2022 send application to [email protected]. Contact Prokop Hapala ([email protected]) to discuss scientific details of the research project and Lucie Beránková ([email protected]) for general employment information. Expected starting date autum 2022. Selected candidate have to apply for doctoral program of UCT prague by 15.4. or Charles University by 30.4.




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Ab initio (from electronic structure) calculation of complex processes in materials