Jutta Rogal
Identifiers
- name variant Jutta Rogal 0.60 · backfill
Papers (15)
- MolCryst-MLIPs: A Machine-Learned Interatomic Potentials Database for Molecular Crystals cs.LG · 2026 · author #18
- Markov State Models for Tracking Reaction Dynamics on Catalytic Nanoparticles cond-mat.stat-mech · 2026 · author #4
- Accelerating spin-space sampling by auxiliary spin-dynamics and temperature-dependent spin-cluster expansion cond-mat.stat-mech · 2019 · author #3
- Kinetic Monte Carlo simulations of vacancy diffusion in non-dilute Ni-X (X=Re,W,Ta) alloys cond-mat.mtrl-sci · 2018 · author #2
- First principles characterization of reversible martensitic transformations cond-mat.mtrl-sci · 2018 · author #3
- Maximum Likelihood Analysis of Reaction Coordinates during Solidification in Ni physics.comp-ph · 2018 · author #2
- Unusual composition dependence of transformation temperatures in Ti-Ta-X shape memory alloys cond-mat.mtrl-sci · 2018 · author #4
- Diffusion of hydrogen within idealised grains of bcc-Fe: A kinetic Monte Carlo study cond-mat.mtrl-sci · 2012 · author #2
- CO oxidation on Pd(100) at technologically relevant pressure conditions: A first-principles kinetic Monte Carlo study cond-mat.mtrl-sci · 2008 · author #1
- 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
- CO oxidation at Pd(100): A first-principles constrained thermodynamics study cond-mat.mtrl-sci · 2007 · author #1
- 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
- Density-functional theory investigation of oxygen adsorption at Pd(11N)(N=3,5,7) vicinal surfaces cond-mat.mtrl-sci · 2006 · author #2
- Comparison of the full-potential and frozen-core approximation approaches to density-functional calculations of surfaces cond-mat.mtrl-sci · 2005 · author #3
- On the thermodynamic stability of PdO surfaces cond-mat.mtrl-sci · 2003 · author #1
Mentions
Frequent Coauthors
- Karsten Reuter 7 shared papers
- Matthias Scheffler 5 shared papers
- Ralf Drautz 5 shared papers
- Alberto Ferrari 2 shared papers
- Abir De Sarkar 1 shared papers
- Adam Kiejna 1 shared papers
- Adam Lahouari 1 shared papers
- Alexander Paulsen 1 shared papers
- Amara McCune 1 shared papers
- Andrea Vergara 1 shared papers
- Caitlin A. McCandler 1 shared papers
- Charlotte Infante 1 shared papers
- Chatipat Lorpaiboon 1 shared papers
- Davide G. Sangiovanni 1 shared papers
- Georg Kresse 1 shared papers
- Grisell Diaz Leines 1 shared papers
- Gunther Eggeler 1 shared papers
- Hypatia Newton 1 shared papers
- Jan Frenzel 1 shared papers
- Jihye Han 1 shared papers