Publications of Alexander Shapeev

Ghosh, S.; Sotskov, V.; Shapeev, A.; Neugebauer, J.; Körmann, F.: Short-range order and phase stability of CrCoNi explored with machine learning potentials. Physical Review Materials 6 (11), 113804 (2022)

Novikov, I.; Grabowski, B.; Körmann, F.; Shapeev, A.: Magnetic Moment Tensor Potentials for collinear spin-polarized materials reproduce different magnetic states of bcc Fe. npj Computational Materials 8 (1), 13 (2022)

Körmann, F.; Kostiuchenko, T.; Shapeev, A.; Neugebauer, J.: B2 ordering in body-centered-cubic AlNbTiV refractory high-entropy alloys. Physical Review Materials 5 (5), 053803 (2021)

Kostiuchenko, T.; Ruban, A. V.; Neugebauer, J.; Shapeev, A.; Körmann, F.: Short-range order in face-centered cubic VCoNi alloys. Physical Review Materials 4, 113802 (2020)

Grabowski, B.; Ikeda, Y.; Srinivasan, P.; Körmann, F.; Freysoldt, C.; Duff, A. I.; Shapeev, A.; Neugebauer, J.: Ab initio vibrational free energies including anharmonicity for multicomponent alloys. npj Computational Materials 5 (1), 80 (2019)

Ferrari, A.; Sotskov, V.; Shapeev, A.; Körmann, F.: Modelling Surface Segregation in Compositionally Complex Alloys with Ab-Initio Accuracy. arXiv (2022)