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Breakthroughs in Quantum Chemistry

Philip E. Hoggan

Published Jul 1, 2018• 0 citations
OpenAlex

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Quantum computing is expected to offer exponential or polynomial speedups over classical computing for many socially important problems, including integer factorization, combinatorial optimization, and quantum chemistry.This promise has fueled strong expectations for quantum computers as next-generation computing infrastructure.Most algorithms with provable quantum advantage require large-scale quantum error correction, making fault-tolerant quantum computers (FTQC) essential.However, currently available devices are noisy intermediate-scale quantum (NISQ) devices, and further breakthroughs, such as advances in large-scale integration, are required to realize practical implementations of quantum error correction.

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Quantum computing promises to be a game changer for drug discovery and battery development as it will enable simulations of complex molecular and material systems not possible in classical regimes. Here, we introduce a hardware-aware, hybrid quantum-classical framework designed for practical pharmaceutical and energy problems. Extending state-of-the-art results from quantum machine learning, quantum-inspired optimization, and domain-specific datasets, the model improves both scalability and accuracy as well as interpretability. The proposed method is validated from real-drug and battery chemistry with advantages over the traditional method. This interdisciplinary breakthrough tackles major drawbacks of current quantum approaches and provides a realistic pathway towards industrial implementation in chemistry-led innovation.

CRC Press eBooks•Sep 7, 2026•0 citations
Quantum computing is expected to offer exponential or polynomial speedups over classical computing for many socially important problems, including integer factorization, combinatorial optimization, and quantum chemistry.This promise has fueled strong expectations for quantum computers as next-generation computing infrastructure.Most algorithms with provable quantum advantage require large-scale quantum error correction, making fault-tolerant quantum computers (FTQC) essential.However, currently available devices are noisy intermediate-scale quantum (NISQ) devices, and further breakthroughs, such as advances in large-scale integration, are required to realize practical implementations of quantum error correction.
Quantum computing promises to be a game changer for drug discovery and battery development as it will enable simulations of complex molecular and material systems not possible in classical regimes. Here, we introduce a hardware-aware, hybrid quantum-classical framework designed for practical pharmaceutical and energy problems. Extending state-of-the-art results from quantum machine learning, quantum-inspired optimization, and domain-specific datasets, the model improves both scalability and accuracy as well as interpretability. The proposed method is validated from real-drug and battery chemistry with advantages over the traditional method. This interdisciplinary breakthrough tackles major drawbacks of current quantum approaches and provides a realistic pathway towards industrial implementation in chemistry-led innovation.