Papers matching “first-principles modeling” 66
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The AiiDA-Spirit Plugin for Automated Spin-Dynamics Simulations and Multi-Scale Modeling Based on First-Principles Calculations2022 Frontiers in Materials article Physics and Astronomy Magnetic properties of thin films Open access
Philipp Rüßmann, Jordi Ribas Sobreviela, Moritz Sallermann, Markus Hoffmann, Florian Rhiem, Stefan Blügel
4citations -
Hybrid soft sensor modeling for the wire section in tissue manufacturing: integrating first-principles and machine learning models2025 Nordic Pulp & Paper Research Journal article Engineering Fault Detection and Control Systems Open access
Rosario Othen, Chen Lu Song, Jan-Christoph Schlake, Christian Möbitz, Thomas Gries
0citations -
The AiiDA-Spirit plugin for automated spin-dynamics simulations and multi-scale modelling based on first-principles calculations2021 JuSER (Forschungszentrum Jülich) dataset Physics and Astronomy Magnetic properties of thin films Open access
Philipp Rüßmann, Jordi Ribas Sobreviela, Moritz Sallermann, Markus Hoffmann, Florian Rhiem, Stefan Blügel
1citations -
Magnetic Superexchange and Mott Insulator Mechanisms in Cubic Perovskites: From First-Principles to Canonical Models2025 Inorganic Chemistry article Materials Science Magnetic and transport properties of perovskites and related materials Open access
Inés Sánchez‐Movellán, Toraya Fernández-Ruiz, Richard Dronskowski, Ángel Martín Pendás, Pablo García‐Fernández, J. A. Aramburu
0citations -
Laser-induced charge and spin photocurrents at the BiAg2 surface: A first-principles benchmark2022 Physical Review Research article Physics and Astronomy Topological Materials and Phenomena Open access
T. Adamantopoulos, Maximilian Merte, Dongwook Go, Frank Freimuth, Stefan Blügel, Yuriy Mokrousov
9citations -
Fundamentals of energy storage from first principles simulations: Challenges and opportunities2023 Frontiers in Energy Research article Physics and Astronomy Advanced Chemical Physics Studies Open access
Piotr M. Kowalski, Thomas Bornhake, Oskar Cheong, Noah Dohrmann, André Koch-Liston, Shannon Kimberly Potts, +3 more
8citations -
Modeling and Testing Superconducting Artificial CPW Lines Suitable for Parametric Amplification2024 IEEE Transactions on Applied Superconductivity article Physics and Astronomy Superconducting and THz Device Technology
Fausto Patricio Mena, Francisco Pizarro, Boon-Kok Tan, David J. Thoen, J. J. A. Baselmans, Ricardo Finger
1citations