List of works - Jutta Rogal

A kinetic Monte Carlo approach to diffusion-controlled thermal desorption spectroscopy.

scientific article

Analytic bond-order potentials for the bcc refractory metals Nb, Ta, Mo and W

scientific article published on 24 April 2014

Atomistic insight into the non-classical nucleation mechanism during solidification in Ni.

scientific article published in April 2017

Comparison of minimum-action and steepest-descent paths in gradient systems

scientific article published on 22 February 2016

Comparison of the full-potential and frozen-core approximation approaches to density-functional calculations of surfaces

scholarly article in Physical Review B, vol. 73 no. 3, January 2006

Effect of Surface Nanostructure on Temperature Programmed Reaction Spectroscopy: First-Principles Kinetic Monte Carlo Simulations of CO Oxidation atRuO2(110)

scientific article published on 11 January 2008

First-principles statistical mechanics study of the stability of a subnanometer thin surface oxide in reactive environments: CO oxidation at Pd(100).

scientific article published on 23 January 2007

Identification of a multi-dimensional reaction coordinate for crystal nucleation in Ni3Al

scientific article published on 01 June 2020

Kinetic hindrance during the initial oxidation of Pd(100) at ambient pressures

scientific article published on 28 January 2004

Martensitic transformation between competing phases in Ti-Ta alloys: a solid-state nudged elastic band study

scientific article published on 04 March 2015

Mechanism of collective interstitial ordering in Fe-C alloys

scientific article published on 04 May 2020

Multiple state transition path sampling

scientific article published on 01 December 2008

Neural-Network-Based Path Collective Variables for Enhanced Sampling of Phase Transformations

scientific article published on 01 December 2019

Nonlinear reaction coordinate analysis in the reweighted path ensemble.

scientific article published in November 2010

On the efficiency of biased sampling of the multiple state path ensemble.

scientific article published in July 2010

Origin of Structural Modulations in Ultrathin Fe Films on Cu(001).

scientific article published on 9 June 2017

Role of pre-ordered liquid in the selection mechanism of crystal polymorphs during nucleation

scientific article published on 01 September 2020

The Pd()–R27°-O surface oxide revisited

Thermodynamic and kinetic solid-liquid interface properties from transition path sampling.