Matthias Krack

Publication Activity (10 Years)

Years Active: 1997-2019
Publications (10 Years): 1

Top Topics

Digital X Ray Images

Transmission Electron Microscopy

Breast Cancer Detection

Top Venues

J. Comput. Chem.

Publications

Patrick Müller, Kristof Karhan, Matthias Krack, Uwe Gerstmann, Wolf Gero Schmidt, Matthias Bauer, Thomas D. Kühne
Impact of finite-temperature and condensed-phase effects on theoretical X-ray absorption spectra of transition metal complexes. J. Comput. Chem. 40 (5) (2019)
Matthew J. McGrath, J. Ilja Siepmann, I-Feng W. Kuo, Christopher J. Mundy, Joost VandeVondele, Michiel Sprik, Jürg Hutter, Fawzi Mohamed, Matthias Krack, Michele Parrinello
Toward a Monte Carlo program for simulating vapor-liquid phase equilibria from first principles. Comput. Phys. Commun. 169 (1-3) (2005)
Joost VandeVondele, Matthias Krack, Fawzi Mohamed, Michele Parrinello, Thomas Chassaing, Jürg Hutter
Quickstep: Fast and accurate density functional calculations using a mixed Gaussian and plane waves approach. Comput. Phys. Commun. 167 (2) (2005)
Matthias Krack, Andreas M. Köster, Karl Jug
Approximate molecular electrostatic potentials from semiempirical wavefunctions. J. Comput. Chem. 18 (3) (1997)