Accelerated Materials & Chemicals Development

Background / Motivation

IHPC aim to accelerate materials discovery, design and deployment via synergistic efforts between theory, computations and experiments in an integrated and high-throughput way. Today, via advanced high-throughput methods, we are seeing an increase in materials and chemicals (M&C) databases that curate the structure, phase stability and physical/chemical/functional properties of a wide class of materials including structural alloys, materials for energy and catalysis, and polymers.

With the proliferation of M&C data, the development of artificial intelligence (AI) and machine-learning (ML) approaches to accelerate materials design is a highly active field. IHPC, with its deep engineering/simulation expertise, is in au unique position to synergise and combine physics- and chemistry-based knowledge towards interpretability in AI/ML. 

In partnership with various A*STAR experiment laboratories, IHPC is a hub to tailor-made M&C solutions to accelerate the discovery and deployment of materials and chemical processes that are core to our partners’ businesses. 

Accelerated Materials & Chemicals Development


IHPC’s accelerated M&C development efforts include: 

Inorganic materials (in partnership with IMRE)

  • Structural alloys
  • Catalysts and electrocatalysts
  • Electronic materials
  • Thermoelectric materials

Soft materials (in partnership with ICES)

  • Polymeric materials for oilfield chemicals
  • Formulations for consumer care products

Rapid chemical process development (in partnership with ICES)


Scalable Cloud-based AI Platform for Reaction Optimisation

High Entropy Alloy

Collaboration Opportunities 

Leverage the span of technical expertise at IHPC for technology advancement to help your business move up the value chain. 

IHPC welcomes interested party to collaborate in research and development relating to Accelerated Materials & Chemicals Development in developing improved chemical & material solutions for various engineering applications, tapping into our expertise in physics-based simulations and data-driven discovery platforms.  

For more info or collaboration opportunities, please write to