Thomas Hammerschmidt
Ruhr-Universität Bochum
H-index: 30
Europe-Germany
Top articles of Thomas Hammerschmidt
Title | Journal | Author(s) | Publication Date |
|---|---|---|---|
Extending the variational quantum eigensolver to finite temperatures | Quantum Science and Technology | Johannes Selisko Maximilian Amsler Thomas Hammerschmidt Ralf Drautz Thomas Eckl | 2023/12/22 |
Ab initio study of transition paths between (meta)stable phases of Nb and Ta-substituted Nb | Physical Review Materials | Susanne Kunzmann Thomas Hammerschmidt Gabi Schierning Anna Grünebohm | 2024/3/15 |
Core structure of dislocations in ordered ferromagnetic FeCo | arXiv preprint arXiv:2402.10056 | Aleksei Egorov Antoine Kraych Matous Mrovec Ralf Drautz Thomas Hammerschmidt | 2024/2/15 |
Segregation-induced strength anomalies in complex single-crystalline superalloys | Communications Materials | Andreas Bezold Jan Vollhüter Nicolas Karpstein Malte Lenz Aparna Subramanyam | 2024/1/22 |
Parametrization protocol and refinement strategies for accurate and transferable analytic bond-order potentials: Application to Re | Physical Review Materials | Aparna PA Subramanyam Jan Jenke Alvin N Ladines Ralf Drautz Thomas Hammerschmidt | 2024/1/17 |
Applying the effective bond energy formalism (EBEF) to describe the sigma (σ) phase in the Co-Cr-Ni-Re system | Journal of Phase Equilibria and Diffusion | Júlio Cesar Pereira Dos Santos Sean Griesemer Nathalie Dupin Ursula R Kattner Chuan Liu | 2023/12/30 |
Magnetic bond-order potential for iron-cobalt alloys | Physical Review Materials | Aleksei Egorov Aparna PA Subramanyam Ziyi Yuan Ralf Drautz Thomas Hammerschmidt | 2023/4/10 |
Influence of spin fluctuations on structural phase transitions of iron | Physical Review B | Ning Wang Thomas Hammerschmidt Tilmann Hickel Jutta Rogal Ralf Drautz | 2023/3/29 |
Off-stoichiometric softening and polytypic transformations in the plastic deformation of the C14 Fe Nb Laves phase | Acta Materialia | Alvin Noe Ladines Ralf Drautz Thomas Hammerschmidt | 2023/11/1 |
strucscan: A lightweight Python-based framework for high-throughput material simulation | Journal of Open Source Software | Isabel Pietka Ralf Drautz Thomas Hammerschmidt | 2022/11/28 |
Effects of thermal, elastic and surface properties on the stability of SiC polytypes | Physical Review B | Senja Ramakers Anika Marusczyk Maximilian Amsler Thomas Eckl Matous Mrovec | 2022/8/5 |
Elemental (im-) miscibility determines phase formation of multinary nanoparticles co-sputtered in ionic liquids | Nanoscale Advances | Michael Meischein Alba Garzón-Manjón Thomas Hammerschmidt Bin Xiao Siyuan Zhang | 2022 |
Roadmap on Machine Learning in Electronic Structure | Electronic Structure | Heather J Kulik Thomas Hammerschmidt Jonathan Schmidt Silvana Botti Miguel AL Marques | 2022/8/19 |
Atomic-scale modeling of superalloys | Thomas Hammerschmidt Jutta Rogal Erik Bitzek Ralf Drautz | 2022/1/1 | |
Understanding creep of a single-crystalline Co-Al-W-Ta superalloy by studying the deformation mechanism, segregation tendency and stacking fault energy | Acta Materialia | Nicklas Volz Fei Xue Christopher H Zenk Andreas Bezold Stefan Gabel | 2021/8/1 |
Performant implementation of the atomic cluster expansion (PACE) and application to copper and silicon | npj computational materials | Yury Lysogorskiy Cas van der Oord Anton Bochkarev Sarath Menon Matteo Rinaldi | 2021/6/28 |
Tight-binding bond parameters for dimers across the periodic table from density-functional theory | Physical Review Materials | Jan Jenke Alvin N Ladines Thomas Hammerschmidt David G Pettifor Ralf Drautz | 2021/2/10 |
BOPcat software package for the construction and testing of tight-binding models and bond-order potentials | Computational Materials Science | Alvin Noe Ladines Thomas Hammerschmidt Ralf Drautz | 2020/2/15 |
Fast diffusion mechanism in Li 4 P 2 S 6 via a concerted process of interstitial Li ions | RSC advances | Andreas R Stamminger Benedikt Ziebarth Matous Mrovec Thomas Hammerschmidt Ralf Drautz | 2020 |
Thermodynamic modelling of the Ni–Zr system | Intermetallics | Asmita Jana Soumya Sridar Suzana G Fries Thomas Hammerschmidt KC Hari Kumar | 2020/1/1 |
Co-Authors
