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Artificial intelligence helps explore chemistry frontiers

The ability to simulate the behavior of systems at the atomic level represents a powerful tool for everything from drug design to materials discovery. A team led by Los Alamos National Laboratory . ....

Kipton Barros , Benjamin Nebgen , Richarda Messerly , Los Alamos , Benjamint Nebgen , Olexandr Isayev , Shuhao Zhang , Sergei Tretiak , Justins Smith , Richard Messerly , Ryanb Jadrich , Nicholas Lubbers , Elfi Kraka , Nature Chemistry ,

Researchers develop new machine learning method for modeling of chemical reactions

Researchers from Carnegie Mellon University and Los Alamos National Laboratory have used machine learning to create a model that can simulate reactive processes in a diverse set of organic materia . ....

Benjamint Nebgen , Richarda Messerly , Shuhao Zhang , Kipton Barros , Justins Smith , Sergei Tretiak , Carnegie Mellon , Ryanb Jadrich , Nicholas Lubbers , Olexandr Isayev , Elfi Kraka , Carnegie Mellon University Department Of Chemistry , Carnegie Mellon University , General Reactive Machine Learning Potential , Nature Chemistry , Nano Sponge Revolution ,

Carnegie Mellon Researchers Develop New Machine Learning Method For Modeling Of Chemical Reactions

Carnegie Mellon Researchers Develop New Machine Learning Method For Modeling Of Chemical Reactions
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Olexandr Isayev , Ryanb Jadrich , Benjamint Nebgen , Richarda Messerly , Kipton Barros , Carnegie Mellon , Justins Smith , Nicholas Lubbers , Sergei Tretiak , Shuhao Zhang , Elfi Kraka , Office Of Naval Research , Los Alamos National Laboratory , Carnegie Mellon University Department Of Chemistry , Energetic Materials Program To Isayev , Carnegie Mellon University , Condensed Phase Chemistry , General Reactive Machine Learning Potential , Naval Research , Energetic Materials Program ,