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Briefing
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- Molecular Simulation Algorithm – Researchers from University of Warwick, Technical University of Berlin and University of Luxembourg developed deep machine learning algorithm that can predict quantum states of molecules
- Previous Problem – Computational design of molecules for medical and industrial applications tend to require extensive computing resources and power
- Efficient Computing – Algorithm can solve fundamental equations of quantum mechanics within seconds on laptop or mobile phone, compared to months of computing time with previous methods
- Interdisciplinary Project – Three-year effort applied computer science, chemistry and physics knowledge to design algorithm that can represent shape and behavior of quantum states of molecules in data form that is manageable
- Application – Demonstrates that artificial intelligence methods can perform difficult quantum molecular simulations faster for designing new drug or materials
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Accelerator
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Sector
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Healthcare/Health Sciences, Information Technology
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Function
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Research and Development
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Organization
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Technical University of Berlin, The University of Warwick, University of Luxembourg
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Source
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Original Publication Date
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November 18, 2019
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