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Palagin, Dennis [Author] ; Reuter, Karsten [Degree supervisor]; Heiz, Ulrich [Degree supervisor]

First-Principles Statistical Mechanics Study of Functionalization of Doped Silicon Clusters : from Simple Building Blocks to Functionalized Materials

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München: Universitätsbibliothek der TU München, 2013
Yao, Zhen [Author] ; Reuter, Karsten [Degree supervisor]; Reuter, Karsten [Other]; Heiz, Ulrich K. [Other]

First-Principles Microkinetic and Computational Screening Study on Doping as a Means to Improve the Deacon Process at RuO2

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München: Universitätsbibliothek der TU München, 2018
Ghan, Simiam Andreas [Author] ; Reuter, Karsten Ulrich [Degree supervisor]; Reuter, Karsten Ulrich [Other]; Stein, Christopher [Other]

Electronic Couplings from Density Functional Theory: Quantitative Approaches

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München: Universitätsbibliothek der TU München, 2023
Landini, Elisabetta [Author] ; Reuter, Karsten Ulrich [Degree supervisor]; Reuter, Karsten Ulrich [Other]; Egger, David [Other]

Machine Learning Based Screening of Double Perovskites for Photovoltaic Applications

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München: Universitätsbibliothek der TU München, 2023
Anniés, Simon B. [Author] ; Reuter, Karsten Ulrich [Degree supervisor]; Reuter, Karsten Ulrich [Other]; Rupp, Jennifer [Other]

Meso-scale modeling of the structural, electronic and transport properties governing (dis-)charging processes in lithium intercalated graphite anodes

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München: Universitätsbibliothek der TU München, 2023
Chen, Ke [Author] ; Reuter, Karsten Ulrich [Degree supervisor]; Reuter, Karsten Ulrich [Other]; Gagliardi, Alessio [Other]

Molecular Machine Learning for Complex Electronic Properties

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München: Universitätsbibliothek der TU München, 2023
Kunkel, Christian [Author] ; Reuter, Karsten Ulrich [Degree supervisor]; Reuter, Karsten Ulrich [Other]; Zojer, Egbert [Other]; Ortmann, Frank [Other]

Data-driven Organic Semiconductor Discovery

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München: Universitätsbibliothek der TU München, 2021
Egger, Karl David [Author] ; Reuter, Karsten Ulrich [Degree supervisor]; Reuter, Karsten Ulrich [Other]; Zacharias, Martin [Other]

Dielectrics at Liquid-Liquid Interfaces

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München: Universitätsbibliothek der TU München, 2022
Timmermann, Jakob Christian [Author] ; Reuter, Karsten Ulrich [Degree supervisor]; Reuter, Karsten Ulrich [Other]; Oberhofer, Harald [Other]

Iridium Oxide as Catalyst in Water Electrolysis: Identiﬁcation of Novel Surface Structures via Machine Learning

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München: Universitätsbibliothek der TU München, 2022
Wengert, Simon Peter [Author] ; Reuter, Karsten Ulrich [Degree supervisor]; Reuter, Karsten Ulrich [Other]; Oberhofer, Harald [Other]

Kernel-Based Machine Learning for Molecular Crystal Structure Prediction

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München: Universitätsbibliothek der TU München, 2022
Felsen, Frederic Cassian Victor [Author] ; Reuter, Karsten Ulrich [Degree supervisor]; Reuter, Karsten Ulrich [Other]; Köhler, Klaus [Other]

Optimal Experimental Designs for the Exploration of Reaction Kinetic Phase Diagrams

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München: Universitätsbibliothek der TU München, 2022
Stocker, Sina [Author] ; Reuter, Karsten Ulrich [Degree supervisor]; Reuter, Karsten Ulrich [Other]; Oberhofer, Harald [Other]

Transferability in Chemical Machine Learning

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München: Universitätsbibliothek der TU München, 2022
Stegmaier, Sina [Author] ; Reuter, Karsten Ulrich [Degree supervisor]; Reuter, Karsten Ulrich [Other]; Rupp, Jennifer, [Other]

Working Interfaces in Solid-State Electrolytes : A Theoretical Approach towards Realistic Models

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München: Universitätsbibliothek der TU München, 2022
Staacke, Carsten Gerald [Author] ; Reuter, Karsten Ulrich [Degree supervisor]; Reuter, Karsten Ulrich [Other]; Rupp, Jennifer [Other]; Deringer, Volker [Other]

The Electrostatic Gap: Combining Electrostatic Models with Machine Learning Potentials

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München: Universitätsbibliothek der TU München, 2022
Sinstein, Markus [Author] ; Reuter, Karsten Ulrich [Degree supervisor]; Reuter, Karsten Ulrich [Other]; Kaila, Ville [Other]

Multipole Expansion Implicit Solvation Model in Full Potential DFT

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München: Universitätsbibliothek der TU München, 2018
Lorenzi, Juan Manuel [Author] ; Reuter, Karsten Ulrich [Degree supervisor]; Reuter, Karsten Ulrich [Other]; Hinrichsen, Kai-Olaf [Other]

Ab initio modeling of heterogeneous catalysis: Multiscale analysis of interacting reaction pathways

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München: Universitätsbibliothek der TU München, 2017
Hoffmann, Max Jakob [Author] ; Reuter, Karsten [Degree supervisor]; Heiz, Ulrich K. [Degree supervisor]

First-principles Multi-scale Simulations of Dynamic Catalyst Surfaces : CO Oxidation from Palladium Surface Oxide to Palladium Metal

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München: Universitätsbibliothek der TU München, 2014
Anniés, Simon B. [Author] ; Reuter, Karsten Ulrich [Degree supervisor]; Reuter, Karsten Ulrich [Other]; Rupp, Jennifer [Other]

Meso-scale modeling of the structural, electronic and transport properties governing (dis-)charging processes in lithium intercalated graphite anodes

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https://nbn-resolving.org/urn:nbn:de:bvb:91-diss-20230317-1698571-1-9

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München: Universitätsbibliothek der TU München, 2023
Staacke, Carsten Gerald [Author] ; Reuter, Karsten Ulrich [Degree supervisor]; Reuter, Karsten Ulrich [Other]; Rupp, Jennifer [Other]; Deringer, Volker [Other]

The Electrostatic Gap: Combining Electrostatic Models with Machine Learning Potentials

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https://nbn-resolving.org/urn:nbn:de:bvb:91-diss-20221014-1686331-1-1

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München: Universitätsbibliothek der TU München, 2022
Rittmeyer, Simon Philipp [Author] ; Reuter, Karsten [Degree supervisor]; Reuter, Karsten [Other]; Heiz, Ulrich Kaspar [Other]; Groß, Axel [Other]

Non-Adiabatic Effects in Gas-Surface Dynamics

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München: Universitätsbibliothek der TU München, 2017

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