PhD position in computational molecular design of universal self-assembler

The Institute of Physics of the Czech Academy of Sciences is looking for a PhD student to participate in a 4-year project on “Computer Aided Design of Templated Assembling, Replication and Synthesis on Ionic Substrates“ under the 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. A key part of the project is the development of a novel QM/MM simulation package integrating DFT/DFTB methods with classical force fields to streamline molecular design in anhydrous environment. The ideal candidate profile can be of two kinds:

Profile 1 – Development of simulation software

• • Knowledge or interest in scientific computations and high performance calculations

• • Knowledge or interest of modern programming practices and organization of software projects

• • Programming experience e.g. in Python (numpy), C/C++, Fortran, OpenCL or CUDA

Profile 2 – Molecular simulations using classical force-fields

• • Perform modeling of non-covalent interactions between molecules on ionic substrates

• • Participate in the design of molecular structure to optimize deterministic self-assembling

• • Data analysis of computational results and collaboration with AFM/STM experiments

Common requirements

• • Master degree in natural science and technology (e.g. physics, chemistry or computer science)

• • Good spoken and written English

• • Initiative, creativity and ability to solve problems independently

We offer

• • Obtaining a PhD degree in Physics at Charles University or chemistry at UCT Prague

• • Opportunity to achieve a major breakthrough in nanofabrication

• • PhD fully funded for 4 years (till 2026)

• • Collaboration with top labs in the 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 available at: Why FZU?

How to apply

Send your application material (CV and motivation letter) before 15.10.2022 to [email protected]. Applications will be processed as soon as they are received. You can 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: spring 2023. The selected candidate will apply for doctoral program at UCT prague, or at Charles University.

About the Institute

The Institute of Physics of the Czech Academy of Sciences (FZU) is a public research institution specializing in fundamental and applied research in physics, especially elementary particle physics, condensed matter physics, solid state physics, optics, plasma physics and laser physics. FZU is the largest institute of the Czech Academy of Sciences with more than 1300 employees, including a considerable number of international workers. As a public research institution, FZU contributes to increasing the level of knowledge, the quality of education, and the use of research findings in practice.

On April 2019, FZU has become a holder of the certificate HR Excellence in Research Award, which is awarded by the European Commission. FZU has thus ranked among the group of prestigious European institutions having the right to use this certificate.