Papers matching “first-principles calculations” 17
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Assessing Factors that Determine Adatom Migration and Clustering on a Thin Film Oxide; Pt1 and Rh1 on the “29” Cuxo/Cu(111) Surface2023 SSRN Electronic Journal preprint Materials Science Catalytic Processes in Materials Science Open access
Nisa Ulumuddin, Volkan Çınar, Alex C. Schilling, Adrian H. Hunt, Iradwikanari Waluyo, Charles E. Sykes, +1 more
0citations -
Exploring Solute Behavior and Texture Selection in Magnesium Alloys at the Atomistic Level2023 SSRN Electronic Journal preprint Materials Science Magnesium Alloys: Properties and Applications Open access
Fatim-Zahra Mouhib, Zhuocheng Xie, Achraf Atila, Julien Guénolé, Sandra Korte‐Kerzel, Talal Al‐Samman
0citations -
Phonons from Density-Functional Perturbation Theory using the All-Electron Full-Potential Linearized Augmented Plane-Wave Method FLEUR2023 arXiv (Cornell University) preprint Physics and Astronomy Advanced Chemical Physics Studies Open access
Christian-Roman Gerhorst, Alexander Neukirchen, Daniel Aaron Klüppelberg, Gustav Bihlmayer, Markus Betzinger, Gregor Michalicek, +2 more
2citations -
Inclusive P-wave Quarkonium Decay Widths from Lattice QCD and pNRQCD2026 arXiv (Cornell University) preprint Physics and Astronomy Quantum Chromodynamics and Particle Interactions Open access
Nora Brambilla, Viljami Leino, Julian Mayer-Steudte, Panayiotis Panayiotou, Andrea Shindler, Antonio Vairo, +1 more
0citations -
Electrically Controlled Interfacial Charge Transfer Induced Excitons in MoSe2-WSe2 Lateral Heterostructure2024 arXiv (Cornell University) preprint Materials Science 2D Materials and Applications Open access
Baisali Kundu, David Tebbe, Md. Nur Hassan, Suman Kumar Chakraborty, Marvin Metzelaars, Paul Kögerler, +5 more
0citations -
Spin and orbital transport in rare earth dichalcogenides: The case of EuS$_2$2022 arXiv (Cornell University) preprint Physics and Astronomy Topological Materials and Phenomena Open access
Mahmoud Zeer, Dongwook Go, Johanna P. Carbone, Tom G. Saunderson, Matthias Redies, Mathias Kläui, +4 more
0citations
17 results