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Jutta Rogal

Identifiers

  • name variant Jutta Rogal 0.60 · backfill

Papers (33)

  1. A Distributional Framework for Generative Modeling of Molecular Crystals cond-mat.mtrl-sci · 2026 · author #4
  2. MolCryst-MLIPs: A Machine-Learned Interatomic Potentials Database for Molecular Crystals cs.LG · 2026 · author #18
  3. Markov State Models for Tracking Reaction Dynamics on Catalytic Nanoparticles cond-mat.stat-mech · 2026 · author #4
  4. Efficient mapping of phase diagrams with conditional Boltzmann Generators cond-mat.stat-mech · 2024 · author #4
  5. Machine learning classification of local environments in molecular crystals cond-mat.mtrl-sci · 2024 · author #4
  6. Structural transformations driven by local disorder at interfaces cond-mat.mtrl-sci · 2023 · author #4
  7. Geometric Deep Learning for Molecular Crystal Structure Prediction cond-mat.mtrl-sci · 2023 · author #2
  8. Controlling crystallization: What liquid structure and dynamics reveal about crystal nucleation mechanisms cond-mat.soft · 2022 · author #1
  9. Interplay of structural and dynamical heterogeneity in the nucleation mechanism in Ni cond-mat.mtrl-sci · 2021 · author #3
  10. Atomic-scale modeling of superalloys cond-mat.mtrl-sci · 2021 · author #2
  11. Influence of spin fluctuations on structural phase transitions of iron cond-mat.stat-mech · 2021 · author #4
  12. Automated free energy calculation from atomistic simulations cond-mat.mtrl-sci · 2021 · author #3
  13. Template induced precursor formation in heterogeneous nucleation -- Controlling polymorph selection and nucleation efficiency cond-mat.mtrl-sci · 2021 · author #2
  14. Unexpected variations in the kinetics of solid solution alloys due to local interactions cond-mat.mtrl-sci · 2021 · author #2
  15. Trends in elastic properties of Ti-Ta alloys from first-principles calculations cond-mat.mtrl-sci · 2020 · author #2
  16. Role of pre-ordered liquid in the selection mechanism of crystal polymorphs during nucleation cond-mat.mtrl-sci · 2020 · author #4
  17. Identification of a Multi-Dimensional Reaction Coordinate for Crystal Nucleation in $\text{Ni}_3\text{Al}$ cond-mat.mtrl-sci · 2020 · author #4
  18. Discovery of $\omega$-free high-temperature Ti-Ta-X shape memory alloys from first principles calculations cond-mat.mtrl-sci · 2019 · author #7
  19. Neural network based path collective variables for enhanced sampling of phase transformations cond-mat.mtrl-sci · 2019 · author #1
  20. Phase transitions in titanium with an analytic bond-order potential cond-mat.mtrl-sci · 2019 · author #4
  21. Accelerating spin-space sampling by auxiliary spin-dynamics and temperature-dependent spin-cluster expansion cond-mat.stat-mech · 2019 · author #3
  22. Kinetic Monte Carlo simulations of vacancy diffusion in non-dilute Ni-X (X=Re,W,Ta) alloys cond-mat.mtrl-sci · 2018 · author #2
  23. First principles characterization of reversible martensitic transformations cond-mat.mtrl-sci · 2018 · author #3
  24. Maximum Likelihood Analysis of Reaction Coordinates during Solidification in Ni physics.comp-ph · 2018 · author #2
  25. Unusual composition dependence of transformation temperatures in Ti-Ta-X shape memory alloys cond-mat.mtrl-sci · 2018 · author #4
  26. Diffusion of hydrogen within idealised grains of bcc-Fe: A kinetic Monte Carlo study cond-mat.mtrl-sci · 2012 · author #2
  27. CO oxidation on Pd(100) at technologically relevant pressure conditions: A first-principles kinetic Monte Carlo study cond-mat.mtrl-sci · 2008 · author #1
  28. Effect of surface nanostructure on temperature programmed reaction spectroscopy: First-principles kinetic Monte Carlo simulations of CO oxidation at RuO2(110) cond-mat.mtrl-sci · 2007 · author #2
  29. CO oxidation at Pd(100): A first-principles constrained thermodynamics study cond-mat.mtrl-sci · 2007 · author #1
  30. First-principles statistical mechanics study of the stability of a sub-nanometer thin surface oxide in reactive environments: CO oxidation at Pd(100) cond-mat.mtrl-sci · 2006 · author #1
  31. Density-functional theory investigation of oxygen adsorption at Pd(11N)(N=3,5,7) vicinal surfaces cond-mat.mtrl-sci · 2006 · author #2
  32. Comparison of the full-potential and frozen-core approximation approaches to density-functional calculations of surfaces cond-mat.mtrl-sci · 2005 · author #3
  33. On the thermodynamic stability of PdO surfaces cond-mat.mtrl-sci · 2003 · author #1

Mentions

  • 2607.05266 #4 · arxiv_oai · confidence 0.70 Jutta Rogal
  • 2406.12378 #4 · arxiv_oai · confidence 0.70 Jutta Rogal
  • 2303.10140 #2 · arxiv_oai · confidence 0.70 Jutta Rogal
  • 2404.00155 #4 · arxiv_oai · confidence 0.70 Jutta Rogal
  • 2310.11863 #4 · arxiv_oai · confidence 0.70 Jutta Rogal
  • 2212.03996 #1 · arxiv_oai · confidence 0.70 Jutta Rogal
  • 2112.06349 #3 · arxiv_oai · confidence 0.70 Jutta Rogal
  • 1905.01536 #1 · arxiv_oai · confidence 0.70 Jutta Rogal
  • 2106.00147 #2 · arxiv_oai · confidence 0.70 Jutta Rogal
  • 2110.15003 #4 · arxiv_oai · confidence 0.70 Jutta Rogal
  • 2111.03572 #2 · arxiv_oai · confidence 0.70 Jutta Rogal
  • 2107.08980 #3 · arxiv_oai · confidence 0.70 Jutta Rogal
  • 2105.10629 #2 · arxiv_oai · confidence 0.70 Jutta Rogal
  • 2008.00165 #2 · arxiv_oai · confidence 0.70 Jutta Rogal
  • 2006.05279 #4 · arxiv_oai · confidence 0.70 Jutta Rogal
  • 2004.01473 #4 · arxiv_oai · confidence 0.70 Jutta Rogal
  • 1905.01197 #4 · arxiv_oai · confidence 0.70 Jutta Rogal
  • 1905.05680 #7 · arxiv_oai · confidence 0.70 Jutta Rogal
  • 1206.2314 #2 · arxiv_oai · confidence 0.70 Jutta Rogal
  • 1902.02116 #3 · arxiv_oai · confidence 0.70 Jutta Rogal
  • 1810.05489 #3 · arxiv_oai · confidence 0.70 Jutta Rogal
  • 1810.04782 #2 · arxiv_oai · confidence 0.70 Jutta Rogal
  • 1812.04989 #2 · arxiv_oai · confidence 0.70 Jutta Rogal
  • 1804.04546 #4 · arxiv_oai · confidence 0.70 Jutta Rogal
  • 0802.0553 #1 · arxiv_oai · confidence 0.70 Jutta Rogal
  • cond-mat/0701777 #1 · arxiv_oai · confidence 0.70 Jutta Rogal
  • 0711.2493 #2 · arxiv_oai · confidence 0.70 Jutta Rogal
  • cond-mat/0310235 #1 · arxiv_oai · confidence 0.70 Jutta Rogal
  • cond-mat/0609083 #1 · arxiv_oai · confidence 0.70 Jutta Rogal
  • cond-mat/0606033 #2 · arxiv_oai · confidence 0.70 Jutta Rogal
  • cond-mat/0509014 #3 · arxiv_oai · confidence 0.70 Jutta Rogal
  • 1206.2314 #2 · backfill · confidence 0.70 Jutta Rogal
  • 0802.0553 #1 · backfill · confidence 0.70 Jutta Rogal
  • 0711.2493 #2 · backfill · confidence 0.70 Jutta Rogal

Frequent Coauthors