HQS supplies simulation software to DLR Institute

HQS Quantum Simulations GmbH is proud to announce the delivery of a specialized quantum simulation software package to the DLR Institute. The order was placed as part of the DLR Quantum Computing Initiative. In particular, the simulation of material properties and the analysis of material dynamics on quantum computers is of great interest to industry. This requires the development of customized compilation strategies and quantum algorithms in hardware-software co-design for current quantum computers of the NISQ era. Successful collaboration on this challenge represents a major advance in the benefits of quantum technology for industrial end users.

During a public tender procedure within the DLR Quantum Computing Initiative, HQS Quantum Simulations was awarded several projects within the application projects ALQU (Algorithms for Quantum Computer Development in Hardware/Software-Codesign) and BASIQ (Battery materials simulation using quantum computers) this year. The first delivery of HQS software to DLR took place at the beginning of November.

Project BASIQ: Quantum Chemistry | NOISE

The BASIQ project aims to develop material simulations for gate-based quantum computers regarding battery materials. HQS provides therefore the software tools HQS Spin Mapper and HQS Noise App. The HQS Noise App simulates open quantum systems and integrates the noise of NISQ devices into the simulation. It enables high-precision calculations of material properties beyond the ground state. The HQS Spin Mapper creates the basis for accurate and fast quantum simulations, for example for the simulation of battery materials and chemical processes at the atomistic level. HQS Spin Mapper identifies the spin degrees of freedom in solids and molecules, enables mapping to spin systems, and supports spin-based simulations for the detailed exploration of quantum mechanical properties.

The quantum algorithms provided by HQS are tested on DLR's own QCI quantum computers. The transfer of quantum chemistry problems to quantum computers is of great importance for German industry, especially for the development of more powerful batteries, which have far-reaching implications for all research areas of the DLR Institute: Energy, Transport, Aeronautics, Space, Security, Digitalization.

ALQU project: Bridging the gap between research and industry

The ALQU project aims to research specific material science applications for quantum computers in collaboration with HQS Quantum Simulations and IQM Germany. The research and development activities concentrate on the development of industrially usable algorithms in hardware/software co-design, especially in the field of quantum materials and the Fermi Hubbard model for the representation of solids and their interactions. The focus is on collaboration with quantum computer hardware providers, and the cooperation is intended to produce innovative materials and software for the simulation of material properties on quantum computers.

As part of the ALQU project, HQS Quantum Simulations is supplying the Lattice FCI software tool, which enables the creation, simulation, and evaluation of many-body systems such as fermions or spins in Python. It helps to facilitate the modeling, analysis, and development of algorithms for many-body systems. It supports the requirements for hardware-software co-design and serves as a resource for the development of industrially usable solutions.

Innovation and application orientation: HQS workflow integration

The workflow integration of HQS enables the flexible use of the simulation software on cloud-based computers and the integration of external cloud users and high-performance computing resources. Integration with quantum hardware is also possible.

The above tools are part of HQS's workflow software. It provides the representation and execution of complex processes, including model creation, geometry optimization, quantum system mapping, solution of the system, and result in visualization. The software can be used locally as individual packages or deployed on Amazon Web Services (AWS), allowing flexible provisioning of hardware resources. In 2024, the workflow solution will also be made available directly on computers at DLR.

The first software package was explained and implemented in an initial workshop with DLR users. The participants were able to test the software for the first time through hands-on exercises and were introduced to the theoretical background of the chemistry and physics on which the HQS software is based. "It was a successful start to working with the HQS simulation software. The tools presented will be of great benefit to our research and ultimately pave the way for future-oriented applications in industry," says Peter Ken Schuhmacher, head of the ALQU project at the DLR Institute of Software Technology.

Press Contact:

Dr. Michael Marthaler
CEO & Co Founder
HQS Quantum Simulations GmbH
press@quantumsimulations.de

Download press release DE/EN

Further information:
DLR Institute: https://www.dlr.de/de
About ALQU: https://qci.dlr.de/alqu/
About BASIQ: https://qci.dlr.de/basiq/
DLR Quantum Computing Initiative https://qci.dlr.de/

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