BASIQ – Battery materials simulation using quantum computers
Project duration: 01.11.2022 – 30.10.2026
We simulate battery materials on the DLR QCI’s quantum computers
We simulate battery materials at the atomic level and battery cells at the continuum level using quantum computers from the DLR Quantum Computing Initiative and adapt the quantum simulation to specific hardware.
Our goal is to develop battery material simulations for gate-based quantum computers. We will simulate solid crystalline electrodes, for example mixed oxides, liquid electrolytes such as water and electrode interfaces such as metal surfaces. In this way, we consider all the crucial material components for the simulation of a battery cell. At the same time, we are developing quantum algorithms for very different classes of materials.
Motivation
The quantum mechanics of atoms and their electrons describes the physical-chemical properties of materials. These quantum chemical models can be implemented much more precisely and quickly on quantum computers. In this way, further advancements in materials research are possible with the help of quantum simulation of materials.
Quantum simulation is considered to be one of the first applications with a possible quantum advantage. This is due to its comparatively moderate requirements in terms of hardware size and precision compared to other applications. With BASIQ, we are working on the quantum mechanical simulation of materials and chemical processes. Specifically, this involves the quantum simulation of relevant materials for electrochemical energy storage and conversion. Quantum mechanical simulation can make a significant contribution, especially in the simulation of atomic interface processes.
Challenge
In BASIQ, we test and extend hybrid quantum-classical algorithms adapted to today’s error-prone quantum computers. In this way, small, complexly correlated quantum systems can be solved on a quantum computer, and the large, weakly correlated environment can be solved on a classical computer. With these combined simulations, as quantum computers improve, we can continually improve the simulation size on the quantum computer and thus the quality of the simulation. However, it will be possible to look at relevant material systems at the beginning of the development. At the same time, it is also important to look at the error-corrected quantum computers that will be available in the future. Our goal is the dynamic simulation of many molecules at electrode interfaces.
d-fine
d-fine is a European consulting company focussing on analytically challenging topics, which are handled by a team with a scientific background and a high degree of responsibility for future-oriented solutions and their sustainable technological implementation.
HQS Quantum Simulations
The start-up from Karlsruhe specialises in the development of modern software applications for the simulation and analysis of materials at quantum level. With its solutions, it aims to open up new possibilities for accurately and efficiently predicting and analysing materials.
Kipu Quantum
Kipu Quantum is a German start-up for quantum computers based in Karlsruhe and Berlin. Its core business is the development of customised algorithms for customer problems and the embedding of quantum algorithms in software that can be used by customers.
planqc
The technology company planqc was founded in 2022 by a research team from the Max Planck Institute for Quantum Optics and the Ludwig Maximilian University of Munich. planqc builds quantum computers that store information in individual atoms. The qubits are arranged in highly scalable arrays and manipulated with precisely controlled laser pulses. planqc is the first start-up to emerge from Munich Quantum Valley.
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