2.4k citations
Counting papers with at most 25 authors, so collaboration author lists do not stand in for the people here.
- Max Planck SocietyDE178 papers
- Freie Universität BerlinDE80 papers
- Centre National de la Recherche ScientifiqueFR67 papers
- University of the Basque CountryES53 papers
- Technische Universität BerlinDE51 papers
- Goethe University FrankfurtDE42 papers
- Deutsches Elektronen-Synchrotron DESYDE39 papers
- Humboldt-Universität zu BerlinDE37 papers
- Material Physics CenterES36 papers
- Max Planck Institute for the Structure and Dynamics of MatterDE35 papers
- Technical University of MunichDE31 papers
- Lawrence Berkeley National LaboratoryUS30 papers
8 papers · 2 filters
SchNet - a deep learning architecture for molecules and materials
Kristof T. Schütt, Huziel E. Sauceda, Pieter-Jan Kindermans +2
Deep learning has led to a paradigm shift in artificial intelligence, including web, text and image search, speech recognition, as well as bioinformatics, with growing impact in ch…
Experimentally Probing the Libration of Interfacial Water: the Rotational Potential of Water is Stiffer at the Air/Water Interface than in Bulk Liquid
Yujin Tong, Tobias Kampfrath, R. Kramer Campen
Most properties of liquid water are determined by its hydrogen-bond network. Because forming an aqueous interface requires termination of this network, one might expect the molecul…
Characterization of Water Dissociation on -AlO: Theory and Experiment
Jonas Wirth, Harald Kirsch, Sebastian Wlosczyk +3
The interaction of water with -alumina (i.e. -AlO surfaces is important in a variety of applications and a useful model for the interaction of water with environm…
Experimentally Probing 'Hydrophobic' Water at the Gold Electrode/Aqueous Interface
Yujin Tong, François Lapointe, Matin Thämer +2
Quantitative description of reaction mechanisms in aqueous phase electrochemistry requires experimental characterization of local water structure at the electrode/aqueous interface…
Experimentally Quantifying Anion Polarizability at the Air/Water Interface
Yujin Tong, Igor Ying Zhang, R. Kramer Campen
The adsorption of anions from aqueous solution on the air/water interface controls important heterogeneous chemistry in the atmosphere and is thought to have similar physics to ani…
Decisive role of nuclear quantum effects on surface mediated water dissociation at finite temperature
Yair Litman, Davide Donadio, Michele Ceriotti +1
Water molecules adsorbed on inorganic substrates play an important role in several technological applications. In the presence of light atoms in adsorbates, nuclear quantum effects…
Cold collisions in a molecular synchrotron
Aernout P. P. van der Poel, Peter C. Zieger, Sebastiaan Y. T. van de Meerakker +3
We study collisions between neutral, deuterated ammonia molecules (ND) stored in a 50 cm diameter synchrotron and argon atoms in co-propagating supersonic beams. The advantages…
Unified Representation of Molecules and Crystals for Machine Learning
Haoyan Huo, Matthias Rupp
Accurate simulations of atomistic systems from first principles are limited by computational cost. In high-throughput settings, machine learning can reduce these costs significantl…