Institution
Technical University of Berlin
Education•Berlin, Germany•
About: Technical University of Berlin is a education organization based out in Berlin, Germany. It is known for research contribution in the topics: Laser & Catalysis. The organization has 27292 authors who have published 59342 publications receiving 1414623 citations. The organization is also known as: Technische Universität Berlin & TU Berlin.
Topics: Laser, Catalysis, Quantum dot, Computer science, Context (language use)
Papers published on a yearly basis
Papers
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TL;DR: A machine learning model is introduced to predict atomization energies of a diverse set of organic molecules, based on nuclear charges and atomic positions only, and applicability is demonstrated for the prediction of molecular atomization potential energy curves.
Abstract: We introduce a machine learning model to predict atomization energies of a diverse set of organic molecules, based on nuclear charges and atomic positions only. The problem of solving the molecular Schrodinger equation is mapped onto a nonlinear statistical regression problem of reduced complexity. Regression models are trained on and compared to atomization energies computed with hybrid density- functional theory. Cross validation over more than seven thousand organic molecules yields a mean absolute error of � 10 kcal=mol. Applicability is demonstrated for the prediction of molecular atomization potential energy curves.
1,755 citations
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07 Nov 2018TL;DR: The latest developments concerning intermodal traffic solutions, simulator coupling and model development and validation on the example of the open source traffic simulator SUMO are presented.
Abstract: Microscopic traffic simulation is an invaluable tool for traffic research. In recent years, both the scope of research and the capabilities of the tools have been extended considerably. This article presents the latest developments concerning intermodal traffic solutions, simulator coupling and model development and validation on the example of the open source traffic simulator SUMO.
1,722 citations
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University of Hamburg1, Arizona State University2, Uppsala University3, Max Planck Society4, European XFEL5, SLAC National Accelerator Laboratory6, Forschungszentrum Jülich7, Lawrence Livermore National Laboratory8, Lawrence Berkeley National Laboratory9, University of Gothenburg10, Technical University of Berlin11, Swedish University of Agricultural Sciences12
TL;DR: This work offers a new approach to structure determination of macromolecules that do not yield crystals of sufficient size for studies using conventional radiation sources or are particularly sensitive to radiation damage, by using pulses briefer than the timescale of most damage processes.
Abstract: X-ray crystallography provides the vast majority of macromolecular structures, but the success of the method relies on growing crystals of sufficient size. In conventional measurements, the necessary increase in X-ray dose to record data from crystals that are too small leads to extensive damage before a diffraction signal can be recorded(1-3). It is particularly challenging to obtain large, well-diffracting crystals of membrane proteins, for which fewer than 300 unique structures have been determined despite their importance in all living cells. Here we present a method for structure determination where single-crystal X-ray diffraction 'snapshots' are collected from a fully hydrated stream of nanocrystals using femtosecond pulses from a hard-X-ray free-electron laser, the Linac Coherent Light Source(4). We prove this concept with nanocrystals of photosystem I, one of the largest membrane protein complexes(5). More than 3,000,000 diffraction patterns were collected in this study, and a three-dimensional data set was assembled from individual photosystem I nanocrystals (similar to 200 nm to 2 mm in size). We mitigate the problem of radiation damage in crystallography by using pulses briefer than the timescale of most damage processes(6). This offers a new approach to structure determination of macromolecules that do not yield crystals of sufficient size for studies using conventional radiation sources or are particularly sensitive to radiation damage.
1,708 citations
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TL;DR: The fouling behaviour, fouling factors and fouling control strategies were discussed, and recent developments in membrane materials including low-cost filters, membrane modification and dynamic membranes were reviewed.
1,708 citations
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TL;DR: Recommendations regarding the use of the EEO concept, including the upscaling of laboratory results, were derived from an extensive analysis of studies reported in the peer-reviewed literature enabling a critical comparison of various established and emerging AOPs based on electrical energy per order (EEO) values.
1,677 citations
Authors
Showing all 27602 results
Name | H-index | Papers | Citations |
---|---|---|---|
Markus Antonietti | 176 | 1068 | 127235 |
Jian Li | 133 | 2863 | 87131 |
Klaus-Robert Müller | 129 | 764 | 79391 |
Michael Wagner | 124 | 351 | 54251 |
Shi Xue Dou | 122 | 2028 | 74031 |
Xinchen Wang | 120 | 349 | 65072 |
Michael S. Feld | 119 | 552 | 51968 |
Jian Liu | 117 | 2090 | 73156 |
Ary A. Hoffmann | 113 | 907 | 55354 |
Stefan Grimme | 113 | 680 | 105087 |
David M. Karl | 112 | 461 | 48702 |
Lester Packer | 112 | 751 | 63116 |
Andreas Heinz | 108 | 1078 | 45002 |
Horst Weller | 105 | 451 | 44273 |
G. Hughes | 103 | 957 | 46632 |