Quantum Delta NL News

Amsterdam-based company Qu&Co releases QUBEC: the first quantum computational platform specifically designed for chemistry and materials science

Qu&Co, the European quantum computational software developer, is announcing the beta release of QUBEC, the first quantum computational platform explicitly designed for chemistry and materials science.

It comprises chemistry-specific algorithms and process automation and is integrated with Schrödinger’s Maestro chemical modelling interface. 

Quantum mechanical simulations have become a powerful tool to accelerate chemistry and materials science and design, however executing the same computations on quantum computers so far remains at an early stage of development.

Dr. Vincent Elfving, CTO at Qu&Co:
“Although current day quantum processors are not yet capable of outperforming conventional computers for chemical simulations, Qu&Co is now offering a glimpse of what the future of quantum chemistry simulations will look like.”

“In that future, corporate researchers will be able to apply quantum computational subroutines directly in their existing conventional computational workflows, so that they can benefit from the improved accuracy and scaling offered by future quantum processors.”

QUBEC incorporates state-of-the-art proprietary and open-source chemistry algorithms. Hybrid quantum-classical algorithms allow researchers to experiment with small-scale quantum processors, to which QUBEC offers access through an integration with the IBM Quantum Experience and Amazon Braket platforms.

Dr. Mario Dagrada, VP of Quantum Software at Qu&Co: “Many of our clients want to know when they will be able to solve their industry sized problems on some future quantum processor.”

“To help provide such insights, QUBEC contains our automated quantum resource estimator, Q-time, that calculates the required quantum hardware specifications and estimated wall clock runtime requirements for future fault-tolerant simulations to a desired level of precision.”

“We know from experience that developing and running quantum computing solutions is a highly specialized job,” said dr. Elfving.

“Therefore, we have decided to make the expertise of our quantum-developers accessible in a scalable and cost-efficient way by including a high level of automation in our platform. Our aim is that a corporate researcher can obtain good results from our solutions with only a minimal amount of training in quantum computing.”

QUBEC handles pre- and post-processing of data and includes tools which automatically optimize the parameterization of the quantum algorithms and the handling of the quantum processors. For expert users, these settings can also be fine-tuned from within the GUI and programmatic API.

In September 2019, Qu&Co started a collaboration with Schrödinger Inc. to advance the use of quantum algorithms on complex chemical systems using quantum computing hardware. Within Qu&Co’s beta testing environment, QUBEC users can now set-up quantum computational simulations directly in Schrödinger’s Maestro user interface, from where they can run chemistry simulations on current day quantum processors. 

“Quantum computational software is likely to become a powerful addition to existing conventional tools, such as the ones we have developed at Schrödinger,” said Pat Lorton, CTO of Schrödinger.

“The integration of quantum and conventional computations may be the key to solving many difficult problems. We are pleased to be working with Qu&Co, a leading quantum software provider, to pursue our shared goals of continued innovation in chemistry and materials science.”

The current beta release of QUBEC is available to a select group of corporate clients.

Over the next years Qu&Co will continue to work closely with its corporate clients and academic partners to further advance the field of quantum computational chemistry and materials science striving to reach the point where QUBEC can deliver industry relevant quantum advantage directly within existing classical workflows. Interested corporate researchers can request beta access to QUBEC by registering at www.quandco.com/product.

Qu&Co is a quantum computational software company founded in 2017 in Amsterdam, the Netherlands.