PhD Position - Exascale computing for quantum transport simulations

Your Job:

You will join our research team, the Simulation and Data Lab Quantum Materials, and carry out cutting-edge research to extend a scientific software (libNEGF) used to simulate quantum transport in nano-electronic devices. You will be part of a pan-European Center of Excellence (EoCoE) co-funded by the EU with the ultimate goal of advancing large scale "in silico" simulations with application to energy production and transport. You will play a key role in enhancing code scalability on European pre-exascale and future exascale systems (LUMI, LEONARDO, JUPITER, etc.), implementing novel parallel algorithms and ensuring the overall scalability of the code. Your responsibilities will involve algorithm development, parallel programming for distributed CPU and multi-GPU architectures and the building of an efficient interface bridging algorithms with implementation, and ultimately, the computing architectures. You will:

• Collaborate with other developers to extend the functionalities of the libNEGF code to adress simulations of industry-relevant optoelectronic devices, particularly those based on 2D materials
  
• Increase parallelism by extending the MPI cartesian grid to configuration space and phonon bands
  
• Help in designing new algorithms for computationally intensive kernels (e.g. tensor contractions and convolutions), enhancing overall computational efficiency
  
• Introduce platform-aware low-level kernels and primitives for improved hardware integration and performance portability
  
• Implement an abstraction layer for the automatic code generation and kernel selection based on performance evaluation models
  
• Validate and benchmark calculations on the largest supercomputing clusters in Europe and abroad, and identify workflows and exascale capabilities on specific test-bed structures

Your Profile:

We are looking for a highly motivated doctoral researcher who is excited about new scientific endeavours with interdisciplinary approaches. For this you have:

• A completed university degree (Master or equivalent) in computer science, mathematics, materials science, physics, engineering or a related subject
  
• Very good knowledge of numerical linear algebra algorithms
  
• Practical experience with parallel programming and high-performance computing, in particular with MPI, OpenMP and GPU programming models
  
• Strong programming skills, preferably in C++
  
• Self-motivated personality, curiosity of working in a multi-disciplinary team environment on scientifically challenging problems, team-oriented
  
• Very good command of written and spoken English

Our Offer:

We work on the very latest issues that impact our society and are offering you the opportunity to actively help in shaping change. Here is what Forschungszentrum Jülich can offer you:

• Work on frontiers of scientific and technological challenges with access to cutting-edge and unique supercomputing systems including the upcoming first Exascale supercomputer in Europe (JUPITER)
  
• The opportunity to conduct research in an European Center of Excellence focused on topics relevant to renewable energy production
  
• The chance to operate in a multidisciplinary environment with outstanding infrastructure and to strengthen your visibility in a dynamic and active research field
  
• The opportunity to attend national and international conferences
  
• A daily mentoring from your direct supervisor tailored to your abilities in relation to the given tasks
  
• Flexible work (location) arrangements, e.g. remote work
  
• 30 days of annual leave and provision for days off between public holidays and weekends (e.g. between Christmas and New Year)
  
• Opportunity to develop your strengths, e.g. through a comprehensive training programme; a structured programme including continuing professional development and networking opportunities specifically designed for Jülich’s doctoral researchers by the Jülich Center for Doctoral Researchers and Supervisors (JuDocS): https://go.fzj.de/JuDocs
  

In addition to exciting tasks and the collaborative working atmosphere at Jülich, we have a lot more to offer: https://www.fz-juelich.de/en/careers/julich-as-an-employer/benefits

The position is initially for a fixed term of 3 years but with the prospect of longer-term employment. The salary is in line with pay group 13 (75 %) of the Collective Agreement for the Public Service (TVöD-Bund). In addition, an annual special payment is granted (“Christmas payment”), which amounts to 60 % of the monthly salary. Further information on doctoral degrees at Forschungszentrum Jülich (including its various branch offices) is available at https://www.fz-juelich.de/en/careers/phd

We particularly welcome applications from people from a diverse range of backgrounds (e.g. regardless of age, gender, disabilities, sexual orientation/identity, as well as social, ethnic, and religious background). We strive to offer a diverse and inclusive working environment in which people enjoy equal opportunities and are able to fulfill their potential.