QSP Materials

Revolutionizing materials design through tailored automation of quantum simulation

Automated Workflows Customized to Your Business Needs

throughput

1000x Throughput

Harnessing first-in-class automation and cloud resources to provide the ability to vastly improve computational throughput.

efficiency

High Efficiency

Eliminating manual tasks improves both efficiency and reliability, freeing your R&D staff to focus on innovation.

cost

Cost-Optimization

Cost-effective access to high-performance compute resources through our intuitive user interface.

Workflow Examples using QSP Materials

molecule

Automated structure determination, optimization, and property prediction

Enumerate conformers for molecules including metal-ligand complexes.

structure determination

reaction analysis

potential energy surface

Reaction exploration for catalyst design

Evaluate reaction paths and activation barriers.

Battery optimization

Improve the energy density, stability, and charge rate of battery materials.

battery optimization

alloy doping workflow

Semiconductor doping and metal alloys

Calculate properties of multi-component systems as a function of stoichiometry.

Testimonial

Leading materials and specialty chemical organizations are using QSimulate to significantly increase efficiencies in their R&D departments.

“QSimulate democratizes quantum mechanical simulations, allowing our experimentalists to automate complex workflows without the need for specialization required by the traditional approach. The results are a truly scalable process that produces significantly more consistent results than previously thought possible.

QSimulate is faster, more consistent, and operates at a substantial cost advantage compared to the traditional approach to quantum mechanics in R&D.”

Yu-ya Ohnishi

Deputy General Manager of Materials Informatics Initiative, JSR

See How it Works

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