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Communications Chemistry|July 3, 2023
Accurate quantification of the stability of the perylene-tetracarboxylic dianhydride on Au(111) molecule-surface interfaceVictor G Ruiz, Christian Wagner, Friedrich Maaß, et al.Physical Review Letters|August 1, 2015
Quantitative Prediction of Molecular Adsorption: Structure and Binding of Benzene on Coinage MetalsWei Liu, Friedrich Maaß, Martin Willenbockel, et al.Chemical Reviews|March 11, 2021
Machine Learning Force FieldsOliver T Unke, Stefan Chmiela, Huziel E Sauceda, et al.Nature Communications|November 27, 2014
Non-additivity of molecule-surface van der Waals potentials from force measurementsChristian Wagner, Norman Fournier, Victor G Ruiz, et al.The Journal of Physical Chemistry Letters|August 20, 2015
Toward Low-Temperature Dehydrogenation Catalysis: Isophorone Adsorbed on Pd(111)Wei Liu, Aditya Savara, Xinguo Ren, et al.Journal of Chemical Theory and Computation|November 20, 2015
Assessment and Validation of Machine Learning Methods for Predicting Molecular Atomization EnergiesKatja Hansen, Grégoire Montavon, Franziska Biegler, et al.Frontiers in Oncology|January 6, 2025
Configuring thermal ablation volumes for treatment of distinct tumor shapes: a repeatability study using a robotic approachMilica Bulatović, Jan Hermann, Pascale Tinguely, et al.Journal of the American Chemical Society|August 31, 2025
Molecular Simulations with a Pretrained Neural Network and Universal Pairwise Force FieldsAdil Kabylda, J Thorben Frank, Sergio Suárez-Dou, et al.Journal of the American Chemical Society|October 25, 2016
Noncovalent Bonding Controls Selectivity in Heterogeneous Catalysis: Coupling Reactions on GoldStavros Karakalos, Yunfei Xu, Fairoja Cheenicode Kabeer, et al.The Journal of Chemical Physics|August 3, 2017
Properties of the water to boron nitride interaction: From zero to two dimensions with benchmark accuracyYasmine S Al-Hamdani, Mariana Rossi, Dario Alfè, et al.Pageof 22