Publications [LaTeX]

Papers

International Journals

1 - Neural network force fields for simple metals and semiconductors: construction and application to the calculation of phonons and melting temperatures
M.R.G. Marques, J. Wolff, C. Steigemann, and M.A.L. Marques
Phys. Chem. Chem. Phys. 21, 6506-6516 (2019)

2 - Efficient automatized density-functional tight-binding parameterizations: Application to group IV elements
A. Huran, C. Steigemann, T. Frauenheim, B. Aradi, and M.A.L. Marques
J. Chem. Theory Comput. 14, 2947-2954 (2018)

3 - Recent developments in LIBXC - a comprehensive library of functionals for density functional theory
S. Lehtola, C. Steigemann, M.J.T. Oliveira, and M.A.L. Marques
Software X 7, 1-5 (2018)

4 - Structural prediction of two-dimensional materials under strain
P. Borlido, C. Steigemann, N.N. Lathiotakis, M.A.L. Marques, and S. Botti
2D Mater. 4, 045009 (2017)

Thesis

5 - Global structure prediction of phase diagrams
Conrad Steigemann
PhD thesis, Martin-Luther University of Halle-Wittenberg (2020)