Contractor wanted for QuantiCoM | QALPHAD

16. September 2024

We are looking for a contractor for our QuantiCoM | QALPHAD project to support us in quantum computing-based CALPHAD-based materials development and embedding of quantum computing simulation in an Integrated Computational Materials Engineering Framework (Q-ICME). Participation in the tender process is possible via TED 545398-2024 | Subreport E73864913. The submission deadline is 15 October 2024 at 14:00.

The QuantiCoM project, led by the DLR Institute of Materials Research, is driving forward the development of advanced methods using quantum computers for materials science, materials engineering and industry in order to enable rapid material developments in the future and drastically reduce development times. By utilising quantum mechanical effects such as superposition and entanglement, the interactions of atomic systems within material systems are to be made calculable. Since the computing times on quantum computers scale polynomially instead of exponentially, possible quantum advantages are to be identified that contribute to the implementation of quantum algorithms and the associated industrial benefits. New findings in interaction and degradation processes will also promote material development, which will be tested using experimental validation methods.

The aim of QuantiCoM | QALPHAD is the embedding of quantum computer simulations in cross-scale simulation methods, alloy development by CALPHAD calculation methods and quantum computer-based optimisations.

Collaboration in the QuantiCoM | QALPHAD project

Specifically, as part of this mandate, we require, among other things

  • the written presentation of the scientific solution in the field of material science quantum simulation based on existing atomistic simulations of materials and periodic systems, and
  • Implementation and provision of a calculation and optimisation pipeline for cross-scale simulation methods for the development of new alloys in the form of a Python-based software package,
  • Execution of ab-initio simulations for the calculation of CALPHAD input data sets,
  • Integration of quantum computing calculations at the atomic level, where quantum computing calculations provide an advantage,
  • Development and implementation of efficient non-classical methods (quantum algorithms) that can be executed on quantum computers of the NISQ era,
  • Comparison (benchmark) of these non-classical methods (QA) with classical methods in terms of performance and quality of predictions,
    testing the quantum algorithms on quantum hardware,
  • Optional (only on call by DLR): Testing of the quantum algorithms on the quantum hardware of the DLR QCI, and
    embedding quantum algorithms from DLR calculations in a classical programme package and making them available to users

All information can be accessed via the tender documents including the specifications under Subreport E73864913.