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Matthias Krack | Researchclopedia

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Matthias Krack

Paul Scherrer Institute ORCID

121

Works

15,389

Citations

29

h-index

53

i10-index

Research Topics

Nuclear Materials and Properties Radioactive element chemistry and processing Spectroscopy and Quantum Chemical Studies

Affiliations

Leibniz University Hannover1991–1998

Centre National de la Recherche Scientifique2007–2007

University of Minnesota2005–2005

Scuola Internazionale Superiore di Studi Avanzati2003–2003

University of Zurich2004–2004

Top Works

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

Joost VandeVondele,Matthias Krack,et al.

20055,583 citations

Advanced Chemical Physics Studies

Nuclear reactor physics and engineering

CP2K: An electronic structure and molecular dynamics software package - Quickstep: Efficient and accurate electronic structure calculations

Thomas D. Kühne,Marcella Iannuzzi,et al.

20203,840 citations

Pseudopotentials for H to Kr optimized for gradient-corrected exchange-correlation functionals

20051,710 citations

The influence of temperature and density functional models in <i>ab initio</i> molecular dynamics simulation of liquid water

Joost VandeVondele,Fawzi Mohamed,et al.

2004493 citations

Efficient and Accurate Car-Parrinello-like Approach to Born-Oppenheimer Molecular Dynamics

Thomas D. Kühne,Matthias Krack,et al.

2007440 citations

Coexistence of tetrahedral- and octahedral-like sites in amorphous phase change materials

S. Caravati,Marco Bernasconi,et al.

2007396 citations

Liquid Water from First Principles: Investigation of Different Sampling Approaches

I‐Feng W. Kuo,Christopher J. Mundy,et al.

2004338 citations

All-electron ab-initio molecular dynamics

Matthias Krack,Michele Parrinello

2000269 citations

Static and Dynamical Properties of Liquid Water from First Principles by a Novel Car−Parrinello-like Approach

Thomas D. Kühne,Matthias Krack,et al.

2009216 citations