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30
Aachen papers (primary topic)
238
Further papers (secondary topic)
456
Citations
37
Aachen authors
Papers per year
20
21
22
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26
Papers 30
Open in paper search →-
Assessment and optimization of the fast inertial relaxation engine (fire) for energy minimization in atomistic simulations and its implementation in lammps2020 Computational Materials Science article Chemistry Advanced Physical and Chemical Molecular Interactions Open access
Julien Guénolé, Wolfram G. Nöhring, Aviral Vaid, Frédéric Houllé, Zhuocheng Xie, Aruna Prakash, +1 more
242citations -
A general expression for the statistical error in a diffusion coefficient obtained from a solid‐state molecular‐dynamics simulation2023 Journal of Computational Chemistry article Chemistry Advanced Physical and Chemical Molecular Interactions Open access
Adrian L. Usler, Dennis Kemp, Alexander Bonkowski, Roger A. De Souza
22citations -
CGCompiler: Automated Coarse-Grained Molecule Parametrization via Noise-Resistant Mixed-Variable Optimization2023 Journal of Chemical Theory and Computation article Chemistry Advanced Physical and Chemical Molecular Interactions Open access
Kai Steffen Stroh, Paulo C. T. Souza, Luca Monticelli, Herre Jelger Risselada
17citations -
Automatic Potential Energy Surface Exploration by Accelerated Reactive Molecular Dynamics Simulations: From Pyrolysis to Oxidation Chemistry2023 The Journal of Physical Chemistry A article Chemistry Advanced Physical and Chemical Molecular Interactions
Wassja A. Kopp, Can Huang, Yuqing Zhao, Peiyang Yu, Felix Schmalz, Lukas Krep, +1 more
11citations -
Imaging rotational energy transfer: comparative stereodynamics in CO + N 2 and CO + CO inelastic scattering2023 Physical Chemistry Chemical Physics article Chemistry Advanced Physical and Chemical Molecular Interactions Open access
Zhongfa Sun, Roy J. A. Scheidsbach, Marc C. van Hemert, Ad van der Avoird, Arthur G. Suits, David H. Parker
5citations -
Comment on “Microcanonical treatment of HCl dissociative chemisorption on Au(111): Reactive dampening through inefficient translational energy coupling and an active surface” [J. Chem. Phys. 160, 084702 (2024)]2citations
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A Multiscale Approach for Estimating Permeability and Migration of Large Permeants through Poly(Phenylene Ether)2021 Macromolecular Theory and Simulations article Chemistry Advanced Physical and Chemical Molecular Interactions
Augustinus J. M. Sweere, Bhaskar Patham, Vijayakumar Sugur, Jan‐Willem Handgraaf, Patrick A. Rodgers
1citations -
Exploration of the chemical reaction space through selectively accelerated reactive molecular dynamics without prior knowledge2022 Chemie Ingenieur Technik article Chemistry Advanced Physical and Chemical Molecular Interactions
Maxim Papusha, Chongxiang Huang, Johannes Kiecherer, Kai O. Leonhard
1citations
Most active Aachen authors
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Kai O. Leonhard 4,437 citations overall5 papers
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Nick Gerrits 1,840 citations overall4 papers
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Mark F. Somers 1,615 citations overall4 papers
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Felix Schmalz 150 citations overall4 papers
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Jörg Meyer 2,571 citations overall3 papers
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Wassja A. Kopp 1,351 citations overall3 papers
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Lukas Krep 90 citations overall3 papers
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Geert–Jan Kroes 14,367 citations overall2 papers
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Herre Jelger Risselada 10,905 citations overall2 papers
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Marc C. van Hemert 3,992 citations overall2 papers
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Can Huang 3,449 citations overall2 papers
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Alexander Bonkowski 243 citations overall2 papers
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Bauke Smits 102 citations overall2 papers
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Alexander G. G. M. Tielens 57,904 citations overall1 paper
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Paolo Carloni 15,200 citations overall1 paper