Quantum Drug and Materials Design: Use Cases and Market Forecasts: 2026-2035

Description

Quantum computing is reshaping future pharmaceutical research and advanced materials design. This sector remains at an early stage; but with real-world demonstrations on quantum hardware are underway, with leading pharmaceutical, chemical, automotive, and aerospace firms exploring how quantum systems can accelerate discovery, simulation, and optimization.

At CIR, we track the companies, technologies, partnerships, and algorithms driving this transformation. Our research examines how hybrid quantum-classical workflows are being used today for molecular simulation, catalyst development, battery chemistry, computational fluid dynamics, next-generation materials engineering and other strategically vital areas.

The emerging opportunity is not simply “pure quantum.” Instead, the market is evolving around integrated workflows that combine AI, HPC, GPUs, and quantum processors to solve highly complex chemistry and materials problems that challenge classical computing approaches.

CIR’s coverage in this report includes:

Quantum-assisted drug discovery and molecular modeling
Advanced battery and fuel-cell materials research
Catalyst simulation and chemical process optimization
Semiconductor and electronics materials development
Computational fluid dynamics and multi-physics simulation
Carbon capture and sustainability applications
Hybrid quantum-classical software platforms and algorithms
End-user adoption strategies in the pharma, chemicals, aerospace, and energy sectors.

The report also analyzes the competitive landscape of quantum hardware providers, specialist software firms, and enterprise adopters including IBM, Quantinuum, Google, Microsoft, IonQ,

AstraZeneca, BASF, Pfizer, Airbus, Mercedes-Benz, and many others. In addition, the report contains a forecast of quantum computing in materials design and drug discovery with breakouts of the number of trials by size and expenditure levels.

Advanced materials and pharma are supposedly destined to be the first big application for quantum computing. This report delivers detailed market analysis, technology assessment, partnership mapping, and ten-year forecasts for the evolving quantum pharma and materials science ecosystem.

Chapter One: Introduction

1.1 Background to this Report
- 1.1.1 Quantum Pharma/Materials Science: Progress
- 1.1.2 Quantum Pharma vs. Quantum Materials Science
- 1.1.3 Molecules: Drugs and Biology
- 1.1.4 Catalysts: Batteries, Fuel Cells and the Automotive Industry
- 1.1.5 Quantum Chemistry, Semiconductors and Electronics Materials
- 1.1.6 Quantum and the Chemical industry
- 1.1.7 Computational Fluid Dynamics (CFD)
- 1.1.8 Condensed Matter Research
- 1.1.9 Carbon Capture
1.2 End-User Expectations for Quantum Computing
1.3 Plan of this Report

Chapter Two: Specialist Software Providers

2.1 Introduction
2.2 Quantum Drug Discovery
2.3 Quantum Materials Design
2.4 Quantum Algorithms for Pharma and Materials Science: Recent Trends
- 2.4.1 Hybrid Quantum-classical Workflows Remain the Practical Core
2.5 1QBit (Canada)
2.6 Algorithmiq (Finland)
2.7 Amazon Web Services (United States)
2.8 AQEMIA SAS (France)
- 2.8.1 Classiq Technologies (Israel)
2.9 Dassault Systemes (France)
2.10 Blueqat Inc. (Japan)
2.11 HQS Quantum Simulations (Germany)
2.12 Kvantify (Denmark)
2.13 Phasecraft (United Kingdom)
2.14 Polaris Quantum Biotech (United States)
2.15 Q-Chem (Qatar)
2.16 Q-CTRL (Australia)
2.17 QCWare (United States)
2.18 Qpurpose ApS (Denmark)
2.19 QunaSys (Japan)
2.20 Quanscient? (Finland)
2.21 Qubit Pharmaceuticals (France)
2.22 Quantistry (Germany)
2.23 Quantum Simulation Technologies (United States)
2.24 Quemix Inc. (Japan)
2.25 Qunova Computing, Inc. (South Korea)
2.26 QuSoft (The Netherlands)
2.27 Schrodinger (United States)
- 2.27.1 Activities in Quantum Chemistry
2.28 SCM (Italy)
2.29 Synopsys (Germany)
2.30 Terra Quantum AG (Switzerland)
2.31 XTalPi (China)

Chapter Three: Hardware Providers

3.1 Fujitsu (Japan)
3.2 Google (United States)
3.3 IBM (United States)
3.4 Infleqtion (United States)
3.5 IonQ (United States)
3.6 IQM Quantum Computers
3.7 Microsoft Quantum (United States)
3.8 NVIDIA Corporation (United States)
3.9 ORCA Computing
3.10 Pasqal SAS (France)
3.11 PsiQuantum (United States)
3.12 Quantinuum (United States and the UK)
3.13 QuEra Computing Inc. (United States)
3.14 Riverlane (United Kingdom)
3.15 SEEQC (United States)
3.16 Xanadu Quantum Technologies (Canada)

Chapter Four: End Users

4.1 Introduction
4.2 Airbus (The Netherlands)
- 4.2.1 Applications being Pursued
4.3 Amgen (United States)
4.4 Asahi Kasei (Japan)
4.5 Astex Pharma (United Kingdom)
4.6 AstraZeneca (United Kingdom)
4.7 BASF (Germany)
- 4.7.1 Partnerships
- 4.7.2 Applications
- 4.7.3 Processor Choices
4.8 Bayer (Germany)
4.9 Biogen (United States)
4.10 BMW (Germany)
4.11 Boehringer Ingelheim (Germany)
- 4.11.1 Quantum Chemistry Project
4.12 The Boeing Company (United States)
4.13 BP (United Kingdom)
4.14 Covestro (Germany)
4.15 CSL (Australia)
4.16 Dow and Subsidiaries (United States)
4.17 Evonik (Germany)
4.18 Exxon Mobil (United States)
4.19 Ford (United States)
4.20 Fujifilm (Japan)
4.21 GSK (United Kingdom)
- 4.21.1 Processors Used
4.22 Honeywell (United States)
- 4.22.1 Honeywell Performance Materials and Technologies
4.23 Hyundai Motor Group (South Korea)
4.24 Johnson & Johnson (United States)
4.25 Johnson Matthey (United Kingdom)
4.26 JSR Corporation (Japan)
- 4.26.1 Applications
4.27 LG Corporation and Subsidiaries (South Korea)
- 4.27.1 Research Areas of Interest
4.28 Mercedes-Benz (Germany)
4.29 Merck KGaA (Germany)
- 4.29.1 Role of M Ventures
- 4.29.2 Merck KGaA as Supplier to the Quantum Industry
4.30 Mitsubishi Chemical (Japan)
4.31 Moderna (United States)
4.32 Novo Holdings (Denmark)
4.33 Pfizer (United States)
4.34 POSCO (South Korea)
4.35 Roche (Switzerland)
- 4.35.1 Chugai Pharmaceutical
4.36 Rolls-Royce (United Kingdom)
- 4.36.1 Catalyst Project
4.37 Sanofi S.A. (France)
4.38 Samsung Group (South Korea)
4.39 Saudi Aramco
- 4.39.1 Applications
4.40 Shell (United Kingdom)
4.41 Siemens (Germany)
4.42 Sumitomo Group (Japan)
4.43 Toyota Motor Corporation (Japan)
4.44 Volkswagen and Subsidiaries (Germany)
- 4.44.1 Work on Vehicle Batteries
4.45 TotalEnergies SE (France)

Chapter Five: Ten-Year Forecasts

5.1 Methodology
5.2 Project Timelines
5.3 Project Costs
5.4 Forecasts of Quantum Drug Design
5.5 Forecasts of Quantum Materials Science