Growth Opportunities in Virtual Simulation and Modeling Technologies for Chemicals and Materials R&D, 2024–2029

Virtual simulation and modeling technologies are transforming chemicals and materials research and development (R&D) by enabling precise design, testing, and optimization of materials and processes. These technologies facilitate the modeling of complex chemical reactions, allow for accurate predictions of material properties, and make production processes more efficient while curtailing the need for costly and time-consuming physical experiments.

This Frost & Sullivan report examines the transformative potential of these technologies, focusing particularly on innovations that enable sustainability, efficiency, and cost-effectiveness. The report provides a comprehensive analysis of the critical challenges faced in chemicals and materials R&D that can be mitigated through virtual simulation and modeling technologies. It explores the latest advancements in simulation and modeling, including artificial intelligence (AI) and machine learning (ML). Additionally, it examines the application of these technologies across various sectors, such as automotive, aerospace, pharmaceuticals, and construction. The report provides an overview of the broader ecosystem, highlighting the key players, academic contributions, patent landscapes, and investment activities driving development and adoption. It identifies the factors boosting and restraining the industry and the potential growth opportunities arising from this space for market players and stakeholders to leverage.


  • Strategic Imperatives
    • Why Is It Increasingly Difficult to Grow?
    • The Strategic Imperative 8TM
    • The Impact of the Top 3 Strategic Imperatives on Virtual Simulation and Modeling Technologies in the Chemicals and Materials R&D Industry
    • Growth Opportunities Fuel the Growth Pipeline Engine
    • Research Methodology
  • Growth Opportunity Analysis
    • Scope of Analysis
    • Research Segmentation
  • Growth Generator
    • Key Challenges
    • Growth Drivers
    • Growth Restraints
  • Technology Analysis
    • Technology Advances
  • Patent and Research Publications
    • Overview of Patents
    • Overview of Research Publications
  • Stakeholder Analysis
    • Key Companies
    • Important Research Contributions and Breakthroughs from Academic Institutions
    • Notable Collaborations Between Key Stakeholders
  • Case Studies
    • Case Study 1: Dotmatics Deploys 'Data to Value' Initiative with BASF Agricultural Solutions
    • Case Study 2: Kebotix Accelerates Lubricant Development with Aidriven Structure-Function Relationship Modeling
    • Case Study 3: Schrödinger and Evonik Enhance Recyclable Tire Materials Development with MD Simulations
    • Case Study 4: BosonQ Psi and materialsIN Optimize Surface Crack Detection in Concrete with Quantum ML
  • Funding and Investments
    • Key Investments
  • Analyst Perspective and Future Outlook
    • Future-looking Trends
    • Impact Analysis
    • Analyst Perspective
  • Growth Opportunity Universe
    • Growth Opportunity 1: Quantum-inspired Algorithms for MD Simulations
    • Growth Opportunity 2: AI-powered Sustainability Assessment Tools for Materials R&D
    • Growth Opportunity 3: Robotics-enhanced Automation for Predictive Materials Discovery
    • Growth Opportunity 4: Digital Twins for Process Optimization in Chemicals and Materials Manufacturing
  • Appendix
    • Technology Readiness Levels (TRL): Explanation
  • Next Steps
    • Benefits and Impacts of Growth Opportunities
    • Next Steps

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