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Physical Review Letters
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February 1, 2008
Effect of surface nanostructure on temperature programmed reaction spectroscopy: first-principles kinetic monte Carlo simulations of CO oxidation at RuO2(110)
Michael Rieger, Jutta Rogal, Karsten Reuter
The Journal of Chemical Physics
|
January 5, 2017
Thermodynamic and kinetic solid-liquid interface properties from transition path sampling
Daniel Şopu, Jutta Rogal, Ralf Drautz
Physical Review Letters
|
March 16, 2007
First-principles statistical mechanics study of the stability of a subnanometer thin surface oxide in reactive environments: CO oxidation at Pd(100)
Jutta Rogal, Karsten Reuter, Matthias Scheffler
Journal of Physics. Condensed Matter : an Institute of Physics Journal
|
March 5, 2015
Martensitic transformation between competing phases in Ti-Ta alloys: a solid-state nudged elastic band study
Tanmoy Chakraborty, Jutta Rogal, Ralf Drautz
Journal of Physics. Condensed Matter : an Institute of Physics Journal
|
November 13, 2014
Vacancy mobility and interaction with transition metal solutes in Ni
Sergej Schuwalow, Jutta Rogal, Ralf Drautz
Faraday Discussions
|
April 7, 2022
Interplay of structural and dynamical heterogeneity in the nucleation mechanism in nickel
Grisell Díaz Leines, Angelos Michaelides, Jutta Rogal
Journal of Chemical Information and Modeling
|
March 24, 2026
MXtalTools: A Toolkit for Machine Learning on Molecular Crystals
Michael Kilgour, Mark E Tuckerman, Jutta Rogal
Physical Review Letters
|
January 11, 2020
Neural-Network-Based Path Collective Variables for Enhanced Sampling of Phase Transformations
Jutta Rogal, Elia Schneider, Mark E Tuckerman
Journal of Chemical Theory and Computation
|
December 26, 2025
Automated Machine Learning Pipeline: Large Language Models-Assisted Automated Data set Generation for Training Machine-Learned Interatomic Potentials
Adam Lahouari, Jutta Rogal, Mark E Tuckerman
The Journal of Chemical Physics
|
April 24, 2017
Atomistic insight into the non-classical nucleation mechanism during solidification in Ni
Grisell Díaz Leines, Ralf Drautz, Jutta Rogal
Page
of 4
Search research articles
Search
Showing results (11-20 of 37) with videos related to
Sort By:
Page
of 4
Physical Review Letters
|
February 1, 2008
Effect of surface nanostructure on temperature programmed reaction spectroscopy: first-principles kinetic monte Carlo simulations of CO oxidation at RuO2(110)
Michael Rieger, Jutta Rogal, Karsten Reuter
The Journal of Chemical Physics
|
January 5, 2017
Thermodynamic and kinetic solid-liquid interface properties from transition path sampling
Daniel Şopu, Jutta Rogal, Ralf Drautz
Physical Review Letters
|
March 16, 2007
First-principles statistical mechanics study of the stability of a subnanometer thin surface oxide in reactive environments: CO oxidation at Pd(100)
Jutta Rogal, Karsten Reuter, Matthias Scheffler
Journal of Physics. Condensed Matter : an Institute of Physics Journal
|
March 5, 2015
Martensitic transformation between competing phases in Ti-Ta alloys: a solid-state nudged elastic band study
Tanmoy Chakraborty, Jutta Rogal, Ralf Drautz
Journal of Physics. Condensed Matter : an Institute of Physics Journal
|
November 13, 2014
Vacancy mobility and interaction with transition metal solutes in Ni
Sergej Schuwalow, Jutta Rogal, Ralf Drautz
Faraday Discussions
|
April 7, 2022
Interplay of structural and dynamical heterogeneity in the nucleation mechanism in nickel
Grisell Díaz Leines, Angelos Michaelides, Jutta Rogal
Journal of Chemical Information and Modeling
|
March 24, 2026
MXtalTools: A Toolkit for Machine Learning on Molecular Crystals
Michael Kilgour, Mark E Tuckerman, Jutta Rogal
Physical Review Letters
|
January 11, 2020
Neural-Network-Based Path Collective Variables for Enhanced Sampling of Phase Transformations
Jutta Rogal, Elia Schneider, Mark E Tuckerman
Journal of Chemical Theory and Computation
|
December 26, 2025
Automated Machine Learning Pipeline: Large Language Models-Assisted Automated Data set Generation for Training Machine-Learned Interatomic Potentials
Adam Lahouari, Jutta Rogal, Mark E Tuckerman
The Journal of Chemical Physics
|
April 24, 2017
Atomistic insight into the non-classical nucleation mechanism during solidification in Ni
Grisell Díaz Leines, Ralf Drautz, Jutta Rogal
Page
of 4