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Papers matching “potential method” 4

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Automatic potential energy surface exploration by accelerated reactive MD simulations: from pyrolysis to oxidation chemistry
2023 ChemRxiv preprint Chemical Engineering Advanced Combustion Engine Technologies Open access

Wassja A. Kopp, Can Huang, Yuqing Zhao, Peiyang Yu, Felix Schmalz, Lukas Krep, +1 more

0

citations
A theoretical analysis of propargyl oxidation by the hydroperoxyl radical
2026 ChemRxiv preprint Chemical Engineering Advanced Combustion Engine Technologies Open access

Enia Léon Mudimu, Raymond Langer, Narasimhan Viswanathan, Wassja A. Kopp, Heinz G. Pitsch, Kai O. Leonhard

0

citations
Assessing Accelerated Reaction Network Exploration with ChemTraYzer-TAD and PESmapping
2024 ChemRxiv preprint Chemical Engineering Advanced Combustion Engine Technologies Open access

Felix Schmalz, Enia Mudimu, Ilias Chair, Wassja A. Kopp, Kai O. Leonhard

0

citations
Assessing Accelerated Reaction Network Exploration with ChemTraYzer-TAD and PESmapping
2024 ChemRxiv preprint Chemical Engineering Advanced Combustion Engine Technologies Open access

Felix Schmalz, Enia Mudimu, Ilias Chair, Wassja A. Kopp, Kai O. Leonhard

0

citations

4 results