基本信息
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Bio
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.
Research Interests
Papers共 126 篇Author StatisticsCo-AuthorSimilar Experts
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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,
Physical review lettersno. 19 (2024): 196201-196201
arxiv(2024)
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Journal of chemical theory and computationno. 12 (2024): 5196-5214
Pavel Stishenko,Adam McSloy,Berk Onat,Ben Hourahine,Reinhard J. Maurer,James R. Kermode,Andrew Logsdail
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)
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