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Thesis - Bachelor (16)

2014

Thesis - Bachelor

Linde, Jenny: Understanding the oxidation mechanism of formic acid on transition metal electrodes.

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Full

2013

Thesis - Bachelor

Abdou, Jasmin: Modellstudien zur Katalysatorpräparation mit einkristallinen Oxidsubstraten.

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2012

Thesis - Bachelor

Gyemant, Balint: Erweiterung des Online-Fotoportals Picambio um eine Schnittstelle zu mobilen Endgeräten mit prototypischer Umsetzung einer nativen iPhone-Applikation.

MPG.PuRe

Thesis - Bachelor

Junk, Tabea: Charakterisierung von siliziumbasierten Anoden für Lithium-Ionen-Batterien.

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Thesis - Bachelor

Richter, Clemens: Von ultraschneller Dynamik zu langlebigen Elektronen in amorphem Eis auf Cu(111).

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Full

2009

Thesis - Bachelor

Hermerschmidt, Felix: Novel Cu/ZnO catalyst precursors for synthesis of methanol.

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Full

Working Paper (48)

2025

Working Paper

Carbogno, Christian, Nikita Rybin, Sara Panahian Jand, Alaa Akkoush, Zhenkun Yuan, Mariana Rossi and Carlos Mera Acosta: Polarisation, Born Effective Charges, and Topological Invariants via a Berry-Phase Approach.

MPG.PuRe

pre-print

Working Paper

Choi, Jaehoon, Kyeonghyeon Nam, Yoga T. Malik, Robert Leiter, Maider Zarrabeitia, Christoph Scheurer and Simon Fleischmann: Interlayer spacing control of MoS2 with covalent thiol functionalization: Understanding structure and electrochemistry from experiments and simulation.

MPG.PuRe

DOI

pre-print

Working Paper

Gückstock, Oliver, Tim Amrhein, Beatrice Andres, Pilar Jiménez-Cavero, Cornelius Gahl, Tom S. Seifert, Reza Rouzegar, Ilie Radu, Irene Lucas, Marko Wietstruk, Luis Morellón, Martin Weinelt, Tobias Kampfrath and Nele Thielemann-Kühn: Magnon-mediated terahertz spin transport in metallic Gd|Pt stacks.

MPG.PuRe

DOI

pre-print

Working Paper

Jakob, Konstantin, Karsten Reuter and Johannes Margraf: Universally Accurate or Specifically Inadequate? Stress-testing General Purpose Machine Learning Interatomic Potentials.

MPG.PuRe

DOI

pre-print

Working Paper

Mauß, Jonathan M., Klara Sophia Kley, Rohini Khobragade, Nguyen Khang Tran, Jacopo De Bellis, Ferdi Schüth, Matthias Scheffler and Lucas Foppa: Modelling the Time-Dependent Reactivity of Catalysts by Experiments and Artificial Intelligence.

MPG.PuRe

DOI

Working Paper

Müller, Niclas S., Alexander P. Fellows, Ben John, Andrew E. Naclerio, Christian Carbogno, Katayoun Gharagozloo-Hubmann, Damian Balaz, Ryan A. Kowalski, Hendrik Heenen, Christoph Scheurer, Karsten Reuter, Joshua D. Caldwell, Martin Wolf, Piran R. Kidambi, Martin Thämer and Alexander Paarmann: Full Crystallographic Imaging of Hexagonal Boron Nitride Monolayers with Phonon-Enhanced Sum-Frequency Microscopy.

MPG.PuRe

DOI

pre-print

Working Paper

Nair, Akhil Sugathan, Lucas Foppa and Matthias Scheffler: Materials Database from All-electron Hybrid Functional DFT Calculations.

MPG.PuRe

pre-print

Working Paper

Padilla-Castillo, J.Eduardo, Simon Hofsäss, L. Palánki, Jionghao Cai, C.J.H. Rich, Russell Thomas, Sebastian Kray, Gerard Meijer, Sidney Wright and Stefan Truppe: A large magneto-optical trap of cadmium atoms loaded from a cryogenic buffer gas beam.

MPG.PuRe

Working Paper

Pankratova, Maryna, Vladislav Borisov, Danny Thonig, Rohit Pathak, Yoav William Windsor, Laurenz Rettig, Olle Eriksson, Arthur Ernst and Anders Bergman: Ultrafast demagnetization dynamics of 4f antiferromagnets.

MPG.PuRe

DOI

pre-print

Working Paper

Samtsevych, Artem, Yihua Song, Tammo van der Heide, Balint Aradi, Ben Hourahine, Reinhard J. Maurer, Karsten Reuter, Christoph Scheurer and Chiara Panosetti: DSKO: dancing through DFTB parameterization.

MPG.PuRe

DOI

pre-print

Working Paper

Stocco, Elia, Christian Carbogno and Mariana Rossi: Electric-Field Driven Nuclear Dynamics of Liquids and Solids from a Multi-Valued Machine-Learned Dipolar Model.

MPG.PuRe

DOI

pre-print

Working Paper

Tahir, Muhammad N., Honghui Shang and Xinguo Ren: Analytical gradients of random-phase approximation plus corrections from renormalized single excitations.

MPG.PuRe

pre-print

Working Paper

Urban, Joanna, Michael S. Spencer, Maximilian Frenzel, Gaëlle Trippé- Allard, Marie Cherasse, Charlotte Berrezueta Palacios, Olga Minakova, Eduardo Bedê Barros, Luca Perfetti, Stephanie Reich, Martin Wolf, Emmanuelle Deleporte and Sebastian F. Maehrlein: THz-Driven Coherent Phonon Fingerprints of Hidden Symmetry Breaking in 2D Layered Hybrid Perovskites.

MPG.PuRe

DOI

pre-print

2024

Working Paper

Behler, Jörg, Gabor Csanyi, Lucas Foppa, Kisung Kang, Marcel F. Langer, Johannes T. Margraf, Akhil Sugathan Nair, Thomas A.R. Purcell, Patrick Rinke, Matthias Scheffler, Alexandre Tkatchenko, Milica Todorovic, Oliver T. Unke and Yi Yao: Workflows for Artificial Intelligence.

MPG.PuRe

DOI

pre-print