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ICAMS
Dr. Yanyan Liang
ICAMS
Ruhr-Universität Bochum
IC 02-719
Universitätsstr. 150
44801 Bochum
Tel.: +49 234 32 29365
E-Mail: yanyan.liang@rub.de
Competences
Density functional theory,
Transition path sampling
- Y. Liang, G. Díaz Leines, R. Drautz, J. Rogal
Structural transformations driven by local disorder at interfaces. Physical Review Materials, 8, 033402, (2024) - Y. Liang, M. Mrovec, Y. Lysogorskiy, R. Drautz
Atomic cluster expansion for Pt-Rh catalysts: From ab initio to the simulation of nanoclusters in few steps. Journal of Materials Research, 01, 11, (2023) - Y. Liang, G. Díaz Leines, R. Drautz, J. Rogal
Identification of a multi-dimensional reaction coordinate for crystal nucleation in Ni3Al. The Journal of Chemical Physics, 152, 224504, (2020) - D. Smirnova, S. Starikov, G. Díaz Leines, Y. Liang, et al.
Atomistic description of self-diffusion in molybdenum: a comparative theoretical study of non-Arrhenius behavior. Physical Review Materials, 4, 013605, (2020) - Y. Liang
Nucleation in Ni-Al alloys - an atomistic study. (2017)
- 07.09.2022
Yanyan Liang, Matous Mrovec, Yury Lysogorskiy, Ralf Drautz
Atomic cluster expansion for the Ag-Pd system
DPG Meeting of the Condensed Matter Section 2022, Universität Regensburg, Germany - 06.04.2021
Yanyan Liang, Grisell Díaz Leines, Jutta Rogal, Ralf Drautz
Sampling structural phase transformations in tungsten
1st Virtual Workshop on Computational Materials Science, online event - 19.03.2021
Yanyan Liang, Grisell Díaz Leines, Ralf Drautz, Jutta Rogal
Enhanced sampling of structural phase transformations using a neural network based path collective variable
APS March Meeting 2021, online event - 28.01.2021
Yanyan Liang, Grisell Díaz Leines, Ralf Drautz, Jutta Rogal
Identification of a multi-dimensional reaction coordinate for crystal nucleation in Ni3Al invited
CECAM Mixed-gen Webinar, Laussane, Switzerland, online event - 24.10.2019
Daria Smirnova, Yanyan Liang, Grisell Díaz Leines, Sergei Starikov, et al.
Atomistic description of self-diffusion in molybdenum
3rd German-Dutch Workshop on “Computational Materials Science", Domburg, Netherlands - 21.10.2019
Yanyan Liang, Grisell Díaz Leines, Jutta Rogal, Ralf Drautz
Identifying a multi-dimensional reaction coordinate for the nucleation in binary Ni3Al
3rd German-Dutch Workshop on “Computational Materials Science", Domburg, Netherlands - 05.06.2019
Yanyan Liang, Grisell Díaz Leines, Jutta Rogal, Ralf Drautz
Finding the reaction coordinates for crystal nucleation in Ni3Al from transition path sampling simulations
Materials Simulation Days, Mainz, Germany - 27.05.2019
Yanyan Liang, Grisell Díaz Leines, Jutta Rogal, Ralf Drautz
Atomistic simulation of nucleation process in binary alloy Ni3Al
IMPRS-SurMat Retreat, Kreuth, Germany - 03.04.2019
Daria Smirnova, Yanyan Liang, Grisell Díaz Leines, Sergei Starikov, et al.
Atomistic description of self-diffusion in molybdenum
DPG Spring Meeting, Regensburg, Germany - 02.04.2019
Yanyan Liang, Grisell Díaz Leines, Jutta Rogal, Ralf Drautz
Atomistic study of nucleation and growth in Ni3Al
DPG Spring Meeting, Regensburg, Germany - 25.06.2018
Yanyan Liang, Jutta Rogal, Ralf Drautz
Nucleation in Ni-Al alloys: An atomistic study
10 Years ICAMS - International Symposium, Ruhr-Universität Bochum, Germany - 14.03.2018
Yanyan Liang, Grisell Díaz Leines, Jutta Rogal, Ralf Drautz
Nucleation in Ni-Al alloys: An atomistic study
DPG Spring Meeting, Berlin, Germany - 29.01.2018
Yanyan Liang, Grisell Díaz Leines, Jutta Rogal, Ralf Drautz
Nucleation in Ni-Al alloys: An atomistic study
SurMat Retreat, Meschede, Germany - 17.01.2018
Yanyan Liang, Grisell Díaz Leines, Ralf Drautz, Jutta Rogal
Obtaining reaction coordinates of nucleation during solidification in Ni3Al
Computational Materials Science on Complex Energy Landscapes, Kirchdorf, Austria - 09.02.2017
Maximilian Grabowski, Yanyan Liang, Jutta Rogal, Ralf Drautz
Ab initio simulation of diffusion and segregation of alloying elements in the γ/γ’-microstructure of superalloys
SFB/TR103, Grainau, Germany