Our BASIQ project has found another partner for the simulation of battery materials at the atomistic level using quantum computers. The quantum computing start-up Kipu Quantum was awarded the contract in the Quantum Chemistry | Hybrid Processes tender.
Among other things, Kipu Quantum will develop novel algorithms for static and dynamic quantum chemical simulations for BASIQ, which will be executed on the DLR QCI quantum computers. To this end, the startup is providing a quantum embedding method to embed an analogue quantum simulation in the quantum chemical simulation on a classical computer.
Difficult sub-problems of a quantum chemical simulation can thus be solved with advantage on a quantum computer, allowing difficult sub-problems of quantum chemistry to be solved accurately on a quantum computer and unproblematic sub-problems to be solved efficiently on classical computers. BASIQ aims to combine the advantages of analogue quantum simulation with those of digital quantum computing. The digital-contradiabatic technology developed by Kipu Quantum for the optimised compression of quantum circuits is a step towards this goal. It enables efficient quantum simulation on NISQ-era quantum computers with few quantum gates.
Quantum computers support the search for innovative materials and products
With its BASIQ project (Battery Material Simulation with Quantum Computers), DLR is pursuing the goal of supporting the quantum computer industry in the development of innovative materials and products through research and development work. It is generally assumed that quantum simulations for materials research will be the first application of quantum computers with a practical quantum advantage. BASIQ is focussing on material simulations for gate-based quantum computers in the application area of battery materials. Solid crystalline electrodes (e.g. mixed oxides), liquid electrolytes (e.g. water) and the electrode interface (e.g. metal surfaces) are simulated. This means that all key material components for the simulation of a battery cell are considered. In addition, partial differential equations (PDE) are analysed, which simulate the interaction of the various components in an electrochemical cell, in particular electrodes and electrolyte.