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27 April 2024
 
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Results 1 to 20 of 91 for query "Karsten Reuter". (0.01 sec.)

[    1    2    3    4    5    ]   Next

1.
Machine-learning Based Screening of Lead-free Halide Double Perovskites for Photovoltaic Applications
Elisabetta Landini; Karsten Reuter; Harald Oberhofer;
26 Aug 2022
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2.
Predicting binding motifs of complex adsorbates using machine learning with a physics-inspired graph representation
Wenbin Xu; Karsten Reuter; Mie Andersen;
24 Feb 2022
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3.
Finding the Right Bricks for Molecular Lego: A Data Mining Approach to Organic Semiconductor Design
Christian Kunkel; Christoph Schober; Johannes T. Margraf; Karsten Reuter; Harald Oberhofer;
18 Oct 2021
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4.
Piece-wise Multipole-expansion Implicit Solvation for Arbitrarily Shaped Molecular Solutes
Jakob Filser; Karsten Reuter; Harald Oberhofer;
26 Aug 2021
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5.
Interface between graphene and liquid Cu from molecular dynamics simulations
Juan Santiago Cingolani; Martin Deimel; Simone Köcher; Christoph Scheurer; Karsten Reuter; Mie Andersen;
5 Mar 2021
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6.
IrO2 Surface Complexions Identified Through Machine Learning and Surface Investigations
Jakob Timmermann; Florian Kraushofer; Nikolaus Resch; Peigang Li; Yu Wang; Zhiqiang Mao; Michele Riva; Yonghyuk Lee; Carsten Staacke; Michael Schmid; Christoph Scheurer; Gareth S. Parkinson; Ulrike Diebold; Karsten Reuter;
24 Sep 2020
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7.
Atomic structures and orbital energies of 61,489 crystal-forming organic molecules
Annika Stuke; Christian Kunkel; Dorothea Golze; Milica Todorović; Johannes T. Margraf; Karsten Reuter; Patrick Rinke; Harald Oberhofer;
24 Jan 2020
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8.
Ab initio thermodynamics of hydrocarbons relevant to graphene growth at solid and liquid Cu surfaces
Mie Andersen; Juan Santiago Cingolani; Karsten Reuter;
13 Jun 2019
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9.
A Practical Guide to Surface Kinetic Monte Carlo Simulations
Mie Andersen; Chiara Panosetti; Karsten Reuter;
4 Apr 2019
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10.
Beyond scaling relations for the description of catalytic materials
Mie Andersen; Sergey V. Levchenko; Matthias Scheffler; Karsten Reuter;
20 Feb 2019
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11.
Efficient Simulation of Near-Edge X-ray Absorption Fine Structure (NEXAFS) in Density-Functional Theory: Comparison of Core-Level Constraining Approaches
Georg S. Michelitsch; Karsten Reuter;
13 Feb 2019
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12.
Genarris: Random Generation of Molecular Crystal Structures and Fast Screening with a Harris Approximation
Xiayue Li; Farren S. Curtis; Timothy Rose; Christoph Schober; Alvaro Vazquez-Mayagoitia; Karsten Reuter; Harald Oberhofer; Noa Marom;
6 Mar 2018
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13.
Theoretical evidence for unexpected O-rich phases at corners of MgO surfaces
Saswata Bhattacharya; Daniel Berger; Karsten Reuter; Luca M. Ghiringhelli; Sergey V. Levchenko;
18 Jun 2017
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14.
Interpretation of X-ray Absorption Spectroscopy in the Presence of Surface Hybridization
Katharina Diller; Reinhard J. Maurer; Moritz Müller; Karsten Reuter;
16 Jun 2017
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15.
Energy Dissipation during Diffusion at Metal Surfaces: Disentangling the Role of Phonons vs. Electron-Hole Pairs
Simon P. Rittmeyer; David J. Ward; Patrick Gütlein; John Ellis; William Allison; Karsten Reuter;
14 Oct 2016
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16.
Global Structure Search for Molecules on Surfaces: Efficient Sampling with Curvilinear Coordinates
Konstantin Krautgasser; Chiara Panosetti; Dennis Palagin; Karsten Reuter; Reinhard J. Maurer;
21 Jun 2016
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17.
Adsorption structures and energetics of molecules on metal surfaces: Bridging experiment and theory
Reinhard J. Maurer; Victor G. Ruiz; Javier Camarillo-Cisneros; Wei Liu; Nicola Ferri; Karsten Reuter; Alexandre Tkatchenko;
19 May 2016
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18.
Communication: Charge-Population Based Dispersion Interactions for Molecules and Materials
Martin Stöhr; Georg S. Michelitsch; John C. Tully; Karsten Reuter; Reinhard J. Maurer;
8 Apr 2016
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19.
Thermal and electronic fluctuations of flexible adsorbed molecules: Azobenzene on Ag(111)
Reinhard J. Maurer; Wei Liu; Igor Poltavsky; Thomas Stecher; Harald Oberhofer; Karsten Reuter; Alexandre Tkatchenko;
10 Mar 2016
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20.
Spin Manipulation by Creation of Single-Molecule Radical Cations
Sujoy Karan; Na Li; Yajie Zhang; Yang He; I-Po Hong; Huanjun Song; Jing-Tao Lü; Yongfeng Wang; Lianmao Peng; Kai Wu; Georg S. Michelitsch; Reinhard J. Maurer; Katharina Diller; Karsten Reuter; Alexander Weismann; Richard Berndt;
14 Dec 2015
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