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1 results match your criteria: "Leipzig University Linnéstraße 2 04103 Leipzig Germany Julia.westermayr@uni-leipzig.de.[Affiliation]"
Chem Sci
September 2024
Wilhelm Ostwald Institute for Physical and Theoretical Chemistry, Leipzig University Linnéstraße 2 04103 Leipzig Germany
Excited-state molecular dynamics simulations are crucial for understanding processes like photosynthesis, vision, and radiation damage. However, the computational complexity of quantum chemical calculations restricts their scope. Machine learning offers a solution by delivering high-accuracy properties at lower computational costs.
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