Matous Mrovec
Ruhr-Universität Bochum
H-index: 32
Europe-Germany
Top articles of Matous Mrovec
Title | Journal | Author(s) | Publication Date |
|---|---|---|---|
From electrons to phase diagrams with classical and machine learning potentials: automated workflows for materials science with pyiron | arXiv preprint arXiv:2403.05724 | Sarath Menon Yury Lysogorskiy Alexander LM Knoll Niklas Leimeroth Marvin Poul | 2024/3/8 |
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 |
Non-collinear magnetic atomic cluster expansion for iron | npj Computational Materials | Matteo Rinaldi Matous Mrovec Anton Bochkarev Yury Lysogorskiy Ralf Drautz | 2024/1/11 |
Atomic cluster expansion for quantum-accurate large-scale simulations of carbon | Journal of Chemical Theory and Computation | Minaam Qamar Matous Mrovec Yury Lysogorskiy Anton Bochkarev Ralf Drautz | 2023/6/22 |
Atomic cluster expansion for Pt–Rh catalysts: From ab initio to the simulation of nanoclusters in few steps | Journal of Materials Research | Yanyan Liang Matous Mrovec Yury Lysogorskiy Miquel Vega-Paredes Christina Scheu | 2023/12/28 |
Active learning strategies for atomic cluster expansion models | Physical Review Materials | Yury Lysogorskiy Anton Bochkarev Matous Mrovec Ralf Drautz | 2023/4/12 |
Disordering complexion transition of grain boundaries in bcc metals: Insights from atomistic simulations | Acta Materialia | Sergei Starikov Ahmad Abbass R Drautz M Mrovec | 2023/12/1 |
Atomic cluster expansion for a general-purpose interatomic potential of magnesium | Physical Review Materials | Eslam Ibrahim Yury Lysogorskiy Matous Mrovec Ralf Drautz | 2023/11/17 |
Atomistic simulations of pipe diffusion in bcc transition metals | Acta Materialia | Sergei Starikov Vahid Jamebozorgi Daria Smirnova Ralf Drautz Matous Mrovec | 2023/11/1 |
Descriptor for slip-induced crack blunting in refractory ceramics | Physical Review Materials | Davide G Sangiovanni Antoine Kraych Matous Mrovec Janella Salamania Magnus Odén | 2023/10/6 |
Descriptors for mechanical strength and slip-induced crack-blunting in refractory ceramics | arXiv preprint arXiv:2203.00622 | DG Sangiovanni A Kraych M Mrovec J Salamania M Oden | 2022/3/1 |
Efficient parametrization of the atomic cluster expansion | Physical Review Materials | Anton Bochkarev Yury Lysogorskiy Sarath Menon Minaam Qamar Matous Mrovec | 2022/1/24 |
Never ending saga of a simple boundary | International Journal of Materials Research | Matous Mrovec Thorsten Ochs Christian Elsässer Vaclav Vitek Duc Nguyen-Manh | 2022/1/11 |
Elucidating dislocation core structures in titanium nitride through high-resolution imaging and atomistic simulations | Materials & Design | Janella Salamania Davide Giuseppe Sangiovanni A Kraych KM Calamba Kwick IC Schramm | 2022/12/1 |
Effect of the step-flow growth on defect nucleation in SiC epitaxy by first-principles simulations and machine learning interatomic potentials | APS March Meeting Abstracts | Senja Ramakers Yu Xie Thomas Eckl Maximilian Amsler Boris Kozinsky | 2022 |
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 |
Angular-dependent interatomic potential for large-scale atomistic simulation of the Fe-Cr-H ternary system | Physical Review Materials | Sergei Starikov Daria Smirnova Tapaswani Pradhan Ilia Gordeev Ralf Drautz | 2022/4/26 |
Determination of spin-wave stiffness in the Fe-Si system using first-principles calculations | Physical Review B | Matteo Rinaldi Matous Mrovec Manfred Fähnle Ralf Drautz | 2021/8/6 |
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 |
Theoretical investigation of the 70.5° mixed dislocations in body-centered cubic transition metals | Acta materialia | Lorenz Romaner Tapaswani Pradhan Anastasiia Kholtobina Ralf Drautz Matous Mrovec | 2021/9/15 |
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