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Phase‐Field Simulations of Epitaxial Crystal Growth in Open Fractures With Reactive Lateral Flow2023 Water Resources Research article Environmental Science CO2 Sequestration and Geologic Interactions Open access
Michael Späth, Michael A. Selzer, Benjamin Busch, Daniel Schneider, Christoph Hilgers, Janos Lajos Urai, +1 more
4citations -
Automatic Differentiation for Enhanced Potential Energy Surface Navigation: Improved Minimum and Transition State Search in Molecular Dynamics2026 Journal of Chemical Theory and Computation article Physics and Astronomy Advanced Chemical Physics Studies
Indu Sekhar Roy, Krep Lukas, Enia Léon Mudimu, Markus Towara, Kai O. Leonhard
0citations -
Reaction path identification and validation from molecular dynamics simulations of hydrocarbon pyrolysis2024 International Journal of Chemical Kinetics article Chemical Engineering Advanced Combustion Engine Technologies Open access
Felix Schmalz, Wassja A. Kopp, Eirini Goudeli, Kai O. Leonhard
16citations -
Floating in Space: How to Treat the Weak Interaction between CO Molecules in Interstellar Ices2023 ACS Earth and Space Chemistry article Physics and Astronomy Astrophysics and Star Formation Studies Open access
Brian C. Ferrari, Germán Molpeceres, Johannes Kästner, Yuri Aikawa, Marc van Hemert, Jörg Meyer, +1 more
13citations
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