Matthias Krack

Atomic and Molecular Physics, and Optics · 2003–2020

A researcher in the Science corpus: 6 papers; trusts 1 researcher and is trusted by 22 researchers here, as inferred from the citation graph.

Subfields

• Atomic and Molecular Physics, and Optics — 58 citations into it; #661 of 7,135 by trust here, #1,414 by citations
• Biomedical Engineering — 8 citations into it
• Geophysics — 5 citations into it

Whom Matthias Krack trusts overall

Their strongest outbound trust, strongest first, inferred from their citations.

1. Axel D. Becke
2. J. Perdew

Who trusts Matthias Krack overall

1. Juerg Hutter
2. Mihail Bogojeski
3. Michiel J. van Setten
4. Marcella Iannuzzi
5. Joost VandeVondele
6. Leslie Vogt-Maranto
7. T. Bartels-Rausch
8. F. Schiffmann
9. Matteo Giantomassi
10. Yuki Yamada

Papers from Matthias Krack's perspective

Ordered by how strongly the researchers Matthias Krack trusts endorse each paper. Same corpus, a different order for every researcher.

1. Modern methods and algorithms of quantum chemistry
2. Understanding Molecular Simulation
3. Development of Polarizable Water Force Fields for Phase Equilibrium Calculations
4. Structural studies of water in confined geometry by neutron diffraction
5. What can x-ray scattering tell us about the radial distribution functions of water?
6. GROMACS 3.0: a package for molecular simulation and trajectory analysis
7. Simulations of ice and liquid water over a range of temperatures using the fluctuating charge model
8. The radial distribution functions of water and ice from 220 to 673 K and at pressures up to 400 MPa
9. AND T
10. Quantum statistical mechanics : Green's function methods in equilibrium and nonequilibrium problems

Their papers

• CP2K: An electronic structure and molecular dynamics software package - Quickstep: Efficient and accurate electronic structure calculations. (2020) — 3,532 citations
• Coexistence of tetrahedral- and octahedral-like sites in amorphous phase change materials (2007) — 352 citations
• Pseudopotentials for H to Kr optimized for gradient-corrected exchange-correlation functionals (2005) — 1,514 citations
• Quickstep: Fast and accurate density functional calculations using a mixed Gaussian and plane waves approach (2005) — 5,065 citations
• Liquid Water from First Principles: Investigation of Different Sampling Approaches (2004) — 280 citations
• Water structure as a function of temperature from X-ray scattering experiments and ab initio molecular dynamics (2003) — 187 citations