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What if the next generation of materials—stronger, smarter, and more sustainable—could be discovered not in decades, but in days?

New Materials Discovery with AI takes readers to the frontier of scientific innovation, where artificial intelligence is transforming how humanity explores the building blocks of the physical world. From superconductors to energy materials, this book reveals how AI is reshaping one of the most complex challenges in modern science: navigating the near-infinite chemical space.

This book offers a clear, structured, and deeply insightful journey through the end-to-end AI-driven materials discovery pipeline, bridging theory, computation, and real-world experimentation.

Inside, you will discover:

• How researchers explore vast chemical spaces using intelligent algorithms and data-driven strategies

• A step-by-step breakdown of AI-powered materials discovery workflows—from data curation to model deployment

• A deep case study on high-temperature superconductors, showcasing how AI accelerates breakthroughs once driven by serendipity

• The rise of self-driving laboratories, where robotics and machine learning close the loop between prediction and experimentation

• The future of the field through the integration of quantum computing and explainable AI, unlocking deeper scientific understanding and trust

Unlike traditional textbooks, this book combines scientific rigor with clarity and narrative flow, making advanced concepts accessible without sacrificing depth. It is designed for:

• Researchers and graduate students in materials science, physics, and chemistry

• AI practitioners entering the scientific domain

• Innovators, policymakers, and technologists interested in the future of discovery

As the world faces urgent challenges—from climate change to energy sustainability—the ability to rapidly discover new materials is no longer optional; it is essential.

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