MM 34: Development of Calculation Methods
Friday, March 21, 2025, 10:15–12:15, H10
Atomic Structure, Quantum Effects
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10:15 |
MM 34.1 |
Enhancing 3D Volume Reconstruction in Atom Probe Tomography through Curvature-Based Tip Shape Analysis — Sebastian Eich and •Guido Schmitz
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10:30 |
MM 34.2 |
Sum frequency generation from real-time simulation in 2D crystals — •Mike Nico Pionteck, Myrta Grüning, Simone Sanna, and Claudio Attaccalite
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10:45 |
MM 34.3 |
Ab initio calculations of longitudinal electrical conductivity using a Wannier-based coherent potential approximation — •Shota Namerikawa and Takashi Koretsune
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11:00 |
MM 34.4 |
Ab-initio-based analysis of phonon contributions to negative thermal expansion of a-tin — •Petr Čípek, Jana Pavlů, Martin Friák, and Alena Michalcová
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11:15 |
MM 34.5 |
Bayesian Uncertainty Estimates for Spin-Component-Scaled Second-Order Møller-Plesset Perturbation Theory — •Elisabeth Keller and Johannes Margraf
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11:30 |
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15 min. break
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11:45 |
MM 34.6 |
pyTTN, an open source toolbox for Quantum Dynamics simulations using Tree Tensor Network states — Lachlan Lindoy, •Daniel Rodrigo-Albert, Yannic Rath, and Ivan Rungger
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12:00 |
MM 34.7 |
Spectral properties from an efficient analytical representation of the GW self-energy within a multipole approximation — •Dario Alejandro Leon, Kristian Berland, and Claudia Cardoso
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