An automated approach for developing neural network interatomic potentials with FLAME
H. Mirhosseini, H. Tahmasbi, S.R. Kuchana, A. Ghasemi, T. Kühne, Computational Materials Science 197 (2021).

Modeling atomic force microscopy at LiNbO 3 surfaces from first-principles
S. Sanna, C. Dues, W.G. Schmidt, Computational Materials Science (2015) 145–150.

Modeling atomic force microscopy at LiNbO 3 surfaces from first-principles
S. Sanna, C. Dues, W.G. Schmidt, Computational Materials Science 103 (2015) 145–150.

A multi-mechanism model for cutting simulations based on the concept of generalized stresses
C. Cheng, R. Mahnken, Computational Materials Science (2015) 144–158.

Simulation of lower bainitic transformation with the phase-field method considering carbide formation
M. Düsing, R. Mahnken, Computational Materials Science (2015) 91–100.

A projected Newton algorithm for simulation of multi-variant textured polycrystalline shape memory alloys
R. Mahnken, S. Wilmanns, Computational Materials Science (2011) 2535–2548.

On the simulation of austenite to bainite phase transformation
R. Mahnken, A. Schneidt, S. Tschumak, H.J. Maier, Computational Materials Science (2011) 1823–1829.

First-principles investigation of CO adsorption on Pt/Ge(001)-(4×2)
A.V. Krivosheeva, S. Sanna, W.G. Schmidt, Computational Materials Science 49 (2010) 895–898.

Simulation of asymmetric effects for shape memory alloys by decomposition of transformation strains
R. Mahnken, S. Wilmanns, Computational Materials Science (2007) 295–305.

First-principles study of InP and GaP(001) surfaces
O. Pulci, K. Lüdge, P. Vogt, N. Esser, W.G. Schmidt, W. Richter, F. Bechstedt, Computational Materials Science (2002) 32–37.