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Phase Transitions of Hybrid Perovskites Simulated by Machine-Learning Force Fields Trained on the Fly with Bayesian Inference
Ryosuke Jinnouchi, Jonathan Lahnsteiner, Ferenc Karsai, Kresse Georg, Menno Bokdam (2019). Phase Transitions of Hybrid Perovskites Simulated by Machine-Learning Force Fields Trained on the Fly with Bayesian Inference. Physical Review Letters, 122(22), DOI: 10.1103/physrevlett.122.225701.
Article186 days agoOn-the-fly machine learning force field generation: Application to melting points
Ryosuke Jinnouchi, Ferenc Karsai, Kresse Georg (2019). On-the-fly machine learning force field generation: Application to melting points. Physical review. B./Physical review. B, 100(1), DOI: 10.1103/physrevb.100.014105.
Article186 days agoThermal transport and phase transitions of zirconia by on-the-fly machine-learned interatomic potentials
Carla Verdi, Ferenc Karsai, Peitao Liu, Ryosuke Jinnouchi, Kresse Georg (2021). Thermal transport and phase transitions of zirconia by on-the-fly machine-learned interatomic potentials. npj Computational Materials, 7(1), DOI: 10.1038/s41524-021-00630-5.
Article186 days agoOn-the-Fly Active Learning of Interatomic Potentials for Large-Scale Atomistic Simulations
Ryosuke Jinnouchi, Kazutoshi Miwa, Ferenc Karsai, Kresse Georg, Ryoji Asahi (2020). On-the-Fly Active Learning of Interatomic Potentials for Large-Scale Atomistic Simulations. The Journal of Physical Chemistry Letters, 11(17), pp. 6946-6955, DOI: 10.1021/acs.jpclett.0c01061.
Article186 days agoDescriptors representing two- and three-body atomic distributions and their effects on the accuracy of machine-learned inter-atomic potentials
Ryosuke Jinnouchi, Ferenc Karsai, Carla Verdi, Ryoji Asahi, Kresse Georg (2020). Descriptors representing two- and three-body atomic distributions and their effects on the accuracy of machine-learned inter-atomic potentials. The Journal of Chemical Physics, 152(23), DOI: 10.1063/5.0009491.
Article186 days ago