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Quantum-Assisted Artificial Intelligence in Chemical Reaction Prediction
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Author(s): C. Sushama (Mohan Babu University, India), R. V. V. Krishna (Aditya College of Engineering and Technology, Jawaharlal Nehru Technological University, Kakinada, India), V. Satyanarayana (Aditya College of Engineering and Technology, Jawaharlal Nehru Technological University, Kakinada, India)and G. Jayanthi (KCG College of Technology, India)
Copyright: 2024
Pages: 19
Source title:
Real-World Challenges in Quantum Electronics and Machine Computing
Source Author(s)/Editor(s): Christo Ananth (Samarkand State University, Uzbekistan), T. Ananth Kumar (IFET College of Engineering, India)and Osamah Ibrahim Khalaf (Al-Nahrain University, Iraq)
DOI: 10.4018/979-8-3693-4001-1.ch019
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Abstract
Researchers are excited to use these tools to guess reactions that haven't been seen before because they can guess chemical reaction paths, along with the ratios and transition state energy that go with them. Because of this, the methods used to create new ways to use quantum chemical models to guess what reactions will happen are very important. Here are a few examples of how computational methods have been used instead of time-consuming and expensive tests to find new reactions, catalysts, and ways to make complex molecules. Our research also looks at the newest, most cutting-edge methods and possible future developments in this area that is growing very quickly. Our results show that quantum-assisted AI has the ability to completely change the field of computational chemistry, especially when it comes to predicting chemical reactions and making computers faster and smarter.
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