Traditional Material research or Experimental discovery of materials involves synthesis, process optimisation, analysis of results, characterization and property estimation, often done by manual labor resulting in slower yield and very high expenses. High throughput experimentation is nearly impossible even with automation. Simulations based on quantum mechanics are accurate enough to model realistic systems and even phenomena that cannot be probed experimentally. Such high fidelity simulations have expanded our ability to study material property, develop reaction mechanisms for materials and molecular synthesis, validate, interpret and rationalize experiments and most importantly suggest better combination and composition of materials. However, the computational cost of accurate quantum chemical calculations prevents an exhaustive exploration of chemical space and is limited to very small time and length scales. Our Platform leverages AI, Quantum compute, Cloud Technologies and Automation to digitally transform Research and Development to the new era of Digital R&D. Accurate and faster simulation solutions from QpiAI-Matter enables exhaustive exploration of chemical spaces is possible, allowing the user to attain novel materials of desired property.

Our data-driven approach and Advanced Algorithms have the potential to reduce the cost and computation–experiment cycle time in the conventional approach and can accelerate materials discovery from a decade to an year. This expedited discovery is promised by our platform and automated laboratory experience, and we classify this era of material 4.0. Reduce your compute cost on AWS platforms like AWS Braket, AWS Sagemaker with our deep expertise in optimizing the workloads.

Project Duration: 3 - 12 Months (Depending on the scope).

Project Phases

QpiAI commits to provide AI and Quantum driven best-in-class solutions that gives our partners a competitive advantage over competitors. The project objectives and phases are decided on a case-by-case basis, however the general steps of the project is as follows,

1. Designing Chemical Space
2. Hierarchical Screening of materials using our property predictive modeling
3. In-silico AI enabled simulation of material system
4. Proof of Performance

We partner with organizations in the world across various technology sectors related to materials and chemistry.

Project Objectives

• Develop Novel Materials / Chemical Technologies
• Accelerate Materials/chemical R&D
• AI enabled in-silico Discovery
• Virtual Screening of Materials
• Value addition, IP Creation

Following are areas QpiAI Material discovery solutions delivered

Pharmaceuticals, Cosmetics, Alloys, Aerospace & Automotive materials, Quantum Materials, Coatings, Paints & Dyes, Plastics, Elastomers , Additive manufacturing, Food & Beverages , Steels, Fibers, Construction Materials, Magnetic Materials, Biodegradables.

Deliverables

The project deliverables are decided on a case-by-case basis, it can be Novel Materials / Chemicals, IP , License , systems or thereof.