Matthias Krack
Paul Scherrer Institute(CH)Laboratoire de Chimie Théorique(FR)
Publications by Year
Research Areas
Nuclear Materials and Properties, Radioactive element chemistry and processing, Spectroscopy and Quantum Chemical Studies, Advanced Chemical Physics Studies, Nuclear reactor physics and engineering
Most-Cited Works
- → Quickstep: Fast and accurate density functional calculations using a mixed Gaussian and plane waves approach(2005)5,572 cited
- → CP2K: An electronic structure and molecular dynamics software package - Quickstep: Efficient and accurate electronic structure calculations(2020)3,821 cited
- → Pseudopotentials for H to Kr optimized for gradient-corrected exchange-correlation functionals(2005)1,705 cited
- → The influence of temperature and density functional models in ab initio molecular dynamics simulation of liquid water(2004)493 cited
- → Efficient and Accurate Car-Parrinello-like Approach to Born-Oppenheimer Molecular Dynamics(2007)440 cited
- → Coexistence of tetrahedral- and octahedral-like sites in amorphous phase change materials(2007)396 cited