Mirhosseini, Hossein, Hossein Tahmasbi, Sai Ram Kuchana, Alireza Ghasemi, and Thomas Kühne. “An Automated Approach for Developing Neural Network Interatomic Potentials with FLAME.”https://doi.org/10.1016/j.commatsci.2021.110567__Computational Materials Science 197 (2021).https://doi.org/10.1016/j.commatsci.2021.110567 .

Sanna, S., C. Dues, and Wolf Gero Schmidt. “Modeling Atomic Force Microscopy at LiNbO 3 Surfaces from First-Principles.”https://doi.org/10.1016/j.commatsci.2015.03.025__Computational Materials Science, 2015, 145–50.https://doi.org/10.1016/j.commatsci.2015.03.025 .

Sanna, S., C. Dues, and Wolf Gero Schmidt. “Modeling Atomic Force Microscopy at LiNbO 3 Surfaces from First-Principles.”https://doi.org/10.1016/j.commatsci.2015.03.025__Computational Materials Science 103 (2015): 145–50.https://doi.org/10.1016/j.commatsci.2015.03.025 .

Cheng, C., and Rolf Mahnken. “A Multi-Mechanism Model for Cutting Simulations Based on the Concept of Generalized Stresses.”https://doi.org/10.1016/j.commatsci.2014.12.028__Computational Materials Science, 2015, 144–58.https://doi.org/10.1016/j.commatsci.2014.12.028 .

Düsing, M., and Rolf Mahnken. “Simulation of Lower Bainitic Transformation with the Phase-Field Method Considering Carbide Formation.”https://doi.org/10.1016/j.commatsci.2015.08.043__Computational Materials Science, 2015, 91–100.https://doi.org/10.1016/j.commatsci.2015.08.043 .

Mahnken, Rolf, and Stefan Wilmanns. “A Projected Newton Algorithm for Simulation of Multi-Variant Textured Polycrystalline Shape Memory Alloys.”https://doi.org/10.1016/j.commatsci.2011.03.010__Computational Materials Science, 2011, 2535–48.https://doi.org/10.1016/j.commatsci.2011.03.010 .

Mahnken, Rolf, A. Schneidt, S. Tschumak, and H.J. Maier. “On the Simulation of Austenite to Bainite Phase Transformation.”https://doi.org/10.1016/j.commatsci.2010.12.032__Computational Materials Science, 2011, 1823–29.https://doi.org/10.1016/j.commatsci.2010.12.032 .

Krivosheeva, A.V., S. Sanna, and Wolf Gero Schmidt. “First-Principles Investigation of CO Adsorption on Pt/Ge(001)-(4×2).”https://doi.org/10.1016/j.commatsci.2010.06.043__Computational Materials Science 49, no. 4 (2010): 895–98.https://doi.org/10.1016/j.commatsci.2010.06.043 .

Mahnken, Rolf, and Stefan Wilmanns. “Simulation of Asymmetric Effects for Shape Memory Alloys by Decomposition of Transformation Strains.”https://doi.org/10.1016/j.commatsci.2007.07.042__Computational Materials Science, 2007, 295–305.https://doi.org/10.1016/j.commatsci.2007.07.042 .

Pulci, O., K. Lüdge, P. Vogt, N. Esser, Wolf Gero Schmidt, W. Richter, and F. Bechstedt. “First-Principles Study of InP and GaP(001) Surfaces.”https://doi.org/10.1016/s0927-0256(01)00161-6__Computational Materials Science, 2002, 32–37.https://doi.org/10.1016/s0927-0256(01)00161-6 .