MatQML: Industry partners sought for DLR QCI project QuantiCoM

14. September 2023

We are searching for additional industry partners for our QCI QuantiCoM project to develop models for the prediction and optimization of material properties using quantum computing.

Our QuantiCoM project aims to use quantum computing to pioneer advanced methods for materials science, materials engineering and industry, with the ultimate goal of drastically reducing development times in materials research.

The MatQML subproject will investigate whether certain solution strategies in data-based materials science can benefit from quantum machine learning (QML) methods in materials science. Another area of investigation is in the screening and optimization of alloy compositions, where quantum approaches to machine learning will also be considered.

With the QuantiCoM MatQML (Quantum-Powered Materials Optimization and Learning) call, the project is now looking for industry partners to work as contractors in the DLR project and make a transfer contribution. Full details of the call: TED: 508326-2023. The deadline for submissions is 18.09.2023, 14:00 CEST.

QuantiCoM MatQML’s objectives

  • Development of a QML-based metamodel to predict material properties by using alloy compositions as input and predicting properties such as Young’s modulus, yield strength, and coefficient of thermal expansion as output
  • Investigation and implementation of a quantum reinforcement learning agent to optimize material properties
  • Training of a metamodel for QUBO-based approaches to predict material properties based on alloy compositions
  • Determination of the Hamiltonian for QUBO problems using factorization machines to model the energy levels in materials
  • Implementation and solution of QUBO problems on an annealer to optimize material compositions
  • Application of QAOA (Quantum Approximate Optimization Algorithm) to the Knapsack problem in the context of material optimization
  • Use of PINNs (Physics-Informed Neural Networks) to model continuity equations and atomic arrangements in metallic lattices, and to study the Schrödinger equation for material simulations

QuantiCoM is led by the DLR Institute of Materials Research in Cologne, with participation from the DLR Institute of Materials Physics in Space and the DLR Institute of Engineering Thermodynamics. The Institute of Materials Research’s primary focus is the development of new material solutions and their process technologies for applications in the aerospace, energy and automotive sectors. In cooperation with other DLR institutes and national and international partners, the Institute of Materials Research works on basic and applied research. The research portfolio covers the fields of metallic structures, hybrid systems and intermetallics, structural and functional ceramics, thermoelectric systems, aerogels and aerogel composites, and high-temperature and functional coatings.