Matthias Krack

According to our database, Matthias Krack authored at least 4 papers between 1997 and 2019.

Collaborative distances:

• Dijkstra number of five.
• Erdős number of five.

2019

Impact of finite-temperature and condensed-phase effects on theoretical X-ray absorption spectra of transition metal complexes.

Patrick Müller, Kristof Karhan, Matthias Krack, Uwe Gerstmann, Wolf Gero Schmidt, Matthias Bauer, Thomas D. Kühne

J. Comput. Chem., 2019

2005

Quickstep: Fast and accurate density functional calculations using a mixed Gaussian and plane waves approach.

Joost VandeVondele, Matthias Krack, Fawzi Mohamed, Michele Parrinello, Thomas Chassaing, Jürg Hutter

Comput. Phys. Commun., 2005

Toward a Monte Carlo program for simulating vapor-liquid phase equilibria from first principles.

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

Comput. Phys. Commun., 2005

1997

Approximate molecular electrostatic potentials from semiempirical wavefunctions.

Matthias Krack, Andreas M. Köster, Karl Jug

J. Comput. Chem., 1997