Develop a Quantum-Classical Simulation Framework
This project aims to implement a code for multiscale quantum mechanics/molecular mechanics (QM/MM) molecular dynamics simulations using a Quantum Centric Supercomputing (QSC) approach. The developed framework will be integrated within the MiMiC simulation tool and applied to study proton transport in H+-coupled transporters.
Key Responsibilities:
* Implement classical components of the Sample-Based Quantum Diagonalization method within the MiMiC framework
* Develop and integrate a communication interface between quantum computers and classical HPC resources
* Validate the QCS-MiMiC implementation on IBM's ibm_cleveland quantum computer by reproducing recent benchmark QM/MM simulations
* Apply the developed code to simulate proton transport in vesicular glutamate transporters
* Collaborate closely with an interdisciplinary team across quantum computing, molecular simulation, and neurobiology
* Participate in conferences in Germany and abroad, presenting research results
* Exchange with internal and external project partners
* Prepare scientific publications and project reports
Requirements:
To succeed in this position, you should possess:
* University degree in physics, chemistry, computer science, or a related field
* Expertise in quantum mechanics, HPC, programming, and/or scientific computing is desirable
* 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
* Reliable working style
Benefits:
We offer an ideal environment for completing your doctoral degree:
* State-of-the-art research campus in a green setting, offering opportunities for networking and sports/recreation
* Excellent scientific and technical infrastructure
* Opportunity to participate in conferences and project meetings
* Continuous professional support from scientific supervisors
* 30 days of annual leave
* Flexible working arrangements
* Targeted services for international employees
* Further development of personal strengths through training courses and continuing education programs