Phd Position
Vor 5 Tagen
**Your Job**:
The overarching goal is to implement a code for multiscale quantum mechanics / molecular mechanics (QM/MM) molecular dynamics simulations using a Quantum Centric Supercomputing (QSC) approach [1,2] for the QM problem. This will be integrated within the in-house MiMiC framework [3] and applied to study proton transport in H+-coupled transporters. The project will be carried out in collaboration with a team of experts at FZJ (INM-9: Institute of Neuroscience and Medicine - Computational Biomedicine, IBI-1: Institute of Biological Information Processing - Molecular and Cellular Physiology; JSC: Jülich Supercomputing Centre) and from the US (IBM Research and Michigan State University).
Specific tasks include:
- Implement the classical components of the Sample-Based Quantum Diagonalization [1] method within the MiMiC multiscale simulation framework
- Develop and integrate a communication interface between quantum computers (via Qiskit) and classical HPC resources
- Validate the QCS-MiMiC implementation on IBM’s ibm_cleveland quantum computer by reproducing recently published benchmark QM/MM simulations [2]
- Collaborate closely with an interdisciplinary team across quantum computing, molecular simulation, and neurobiology
- Participation in conferences in Germany and abroad (incl. presenting your research results)
- Exchange with internal and external as well as national and international project partners
Preparing scientific publications and project reports
**Your Profile**:
- University degree (Master) in Physics, Chemistry, Computer Science, or related fields, with an overall grade of at least “gut” (or equivalent, e.g. cum laude)
- Expertise in quantum mechanics; Experience with HPC, programming (e.g., Python, C/C++), and/or scientific computing is a plus
- Strong interest in quantum computing and molecular simulations
- Willingness to work in an interdisciplinary, international team
- Fluent command of written and spoken English
- High degree of independence and commitment
Very reliable and conscientious style of working
**Our Offer**:
We work on the very latest issues that impact our society and are offering you the chance to actively help in shaping the change We offer ideal conditions for you to complete your doctoral degree:
- A large research campus in a green setting, offering excellent opportunities for networking with colleagues and for sports and recreation alongside your work
- Excellent scientific and technical infrastructure
- Opportunity to participate in (international) conferences and project meetings
- Continuous professional support from your scientific supervisors
- 30 days of annual leave
- The option of flexible working arrangements
- Targeted services for international employees, e.g. through our International Advisory Service
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