Publications
Journal Article (5)
1.
Journal Article
7 (1), 58 (2021)
Finite-size correction for slab supercell calculations of materials with spontaneous polarization. npj Computational Materials 2.
Journal Article
126 (16), 166802 (2021)
Impact of Water Coadsorption on the Electrode Potential of H–Pt(1 1 1)-Liquid Water Interfaces. Physical Review Letters 3.
Journal Article
126 (13), 136803 (2021)
Dielectric Properties of Nanoconfined Water: A Canonical Thermopotentiostat Approach. Physical Review Letters 4.
Journal Article
66 (2021)
Defect phases–thermodynamics and impact on material properties. International Materials Reviews 5.
Journal Article
Origins of the hydrogen signal in atom probe tomography. Condensed Matter: Materials Science (2021)
Talk (12)
6.
Talk
Processes at solid/liquid interfaces – insights from ab initio molecular dynamics simulations with potential control. AMaSiS 2021 Online - Applied Mathematics and Simulation for Semiconductors and Electrochemical Systems, Berlin, Germany (2021)
7.
Talk
Identifying and understanding corrosion reactions: An ab initio approach. ICASS - 4th International Conference on Applied Surface Science, Virtual Conference (2021)
8.
Talk
Insights into processes at electrochemical solid/liquid interfaces from ab initio molecular dynamics simulations. ICACES/BENCh Virtual Summer School 2021, Göttingen, Germany (2021)
9.
Talk
From Semiconductor defect chemistry to electrochemistry. ICACES/BENCh Virtual Summer School 2021, Göttingen, Germany (2021)
10.
Talk
High-throughput optimization of finite temperature phase stabilities: Concepts and application. ICAMS Advanced Discussions, virtual, Bochum, Germany (2021)
11.
Talk
Insights into processes at electrochemical solid/liquid interfaces from ab initio molecular dynamics simulations. ICTP-Workshop on “Physics and Chemistry of Solid/Liquid Interfaces for Energy Conversion and Storage”, Virtual Meeting, Trieste, Italy (2021)
12.
Talk
Hydrogen at electrified solid/liquid interfaces – insights from ab initio molecular dynamics simulations. TYC mini-workshop on “Physics and Chemistry of Solid/Liquid Interfaces”, online, London, UK (2021)
13.
Talk
High-throughput optimization of finite temperature phase stabilities: Concepts and application. Thermec'2021, Virtual Conference, Graz, Austria (2021)
14.
Talk
Design and application of an ab initio electrochemical cell. virtual DPG-Frühjahrstagung (DPG Spring Meeting) of the Surface Science Division, Berlin, Germany (2021)
15.
Talk
Insights into processes at electrochemical solid/liquid interfaces from ab initio molecular dynamics simulations. TMS 2021 Meeting, delivered online, Orlando, FL, USA (2021)
16.
Talk
Corrosion at the Quantum Level. Coffee with Max Planck, virtual seminar organized by the MPIE, Düsseldorf, Germany (2021)
17.
Talk
Realistic description of processes at solid/liquid interfaces by ab initio molecular dynamics simulations with potential control. MRS 2021 Fall Meeting, Hybrid Conference, Boston, MA, USA (2021)