Publications [LaTeX]

Papers

International Journals

1 - Point defects in hexagonal silicon
L. Sun, M.R.G. Marques, M.A.L. Marques, and S. Botti
Phys. Rev. Mater. 5, 064605 (2021)

2 - Recent advances and applications of machine learning in solid-state materials science
J. Schmidt, M.R.G. Marques, S. Botti, and M.A.L. Marques
NPJ Comput. Mater. (also appeared in PsiK newsletter, Scientific Highlight of the Month, March) 5, 83 (2019)

3 - 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)

4 - Stable Ordered Phases of Cuprous Iodide with Complexes of Copper Vacancies
S. Jaschik, M.R.G. Marques, M. Seifert, C. Rödl, S. Botti, and M.A.L. Marques
Chem. Mater. 31, 7877-7882 (2019)

Thesis

5 - The structure and dynamics of materials using machine learning
M.R.G. Marques
PhD thesis, Martin-Luther University of Halle-Wittenberg (2020)