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Quantum-computational chemistry as-a-service

The promise of quantum-computational chemistry

Quantum-computing promises to bring disruptive new possibilities for fast and cost-effective in-silico (computer based) discovery and optimization of specialty chemicals, drugs and functional materials. Qu & Co supports your in-house discovery and optimization activities by developing novel quantum-computational chemistry methods and integrating those in your existing computational-chemistry and material-science workflows. Our services can, in-time, mean a significant step-change improvement in accuracy and tractability, which would help you realize the full potential of in-silico discovery and optimization.

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Quantum-computational chemistry as-a-service

Our postdoc level staff, supported by our academic advisors, work closely together with your in-house experts to identify which of your chemical and material problems can already be simulated at the desired accuracy. We translate the relevant Hamiltonian dynamics for those problems to the appropriate quantum-algorithms and implement these on the best available quantum-processors to compute e.g. ground and excited state energies or reaction kinetics for your problem, after which we can help you integrate these novel methods in your existing workflows. With our services you will be able to make a seamless transition from conventional- to quantum-computational-chemistry integrating our results directly in your existing computational-activities.

In-silico discovery

Chemical and material discovery typically involves many iterative synthesis-formulation-testing cycles in a laboratory, which is very costly and time-consuming. In-silico (computer based) chemistry-simulations offer a speedy and cost-effective alternative. However, for many relevant chemical and material problems, the calculation timeat the desired accuracy scales, on classical computers, exponentially with the problem size making many problems out of reach for even the most powerful high-performance computers. The ability to more accurately simulate large-size chemistry and material-science problems will have a disruptive impact on the volume and quality of material-, chemical- and drug-discovery worldwide.

Quantum computers

Around 1980, quantum-computers were first proposed as a more natural way to simulate quantum-dynamics on the atomic level. However the monumental technical challenges in realizing this concept, meant that it took scientists 30+ years to be able to realize such devices. Today quantum-computing is no longer a theoretical concept: €1+ bln is invested annually in quantum-technologies, quantum-processors from several developers are rapidly becoming available and multiple successive break-throughs in algorithm development are starting to make industry-relevant chemical and material-science problem sizes tractable at the desired accuracy. Qu & Co uses the latest quantum-processors to implement such chemistry simulations. By continuously pushing the boundaries of what can be achieved with quantum-algorithms and quantum-hardware, we believe we can help solve many important problems

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