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My research focuses on the theory and simulation of molecular reactions on surfaces and in materials. I study the structure, composition, and reactivity of molecules interacting with solid surfaces. Our goal is to find a detailed understanding of the explicit molecular-level dynamics of molecular reactions as they appear in catalysis, photochemistry, and nanotechnology. Members of my research group develop and use electronic structure theory, quantum chemistry, molecular dynamics, and machine learning methods to achieve this.
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论文共 122 篇作者统计合作学者相似作者
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Rustem Bolat, Jose M. Guevara,Philipp Leinen,Marvin Knol,Hadi H. Arefi,Michael Maiworm, Rolf Findeisen,Ruslan Temirov,Oliver T. Hofmann,Reinhard J. Maurer, F. Stefan Tautz,Christian Wagner
Benedikt P. Klein, Matthew A. Stoodley, Dylan B. Morgan,Luke A. Rochford, Leon B. S. Williams,Paul T. P. Ryan, Lars Sattler,Sebastian M. Weber,Gerhard Hilt, Thomas J. Liddy,Tien-Lin Lee,Reinhard J. Maurer,
arxiv(2024)
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Matthew A. Stoodley,Luke A. Rochford,Tien-Lin Lee,Benedikt P. Klein,David A. Duncan,Reinhard J. Maurer
Physical Review Lettersno. 19 (2024)
arXiv (Cornell University) (2023)
JOURNAL OF PHYSICAL CHEMISTRY Cno. 50 (2023): 24168-24182
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