Robert Schade

发表论文 23 篇 · 总被引 3652 次 · h-index 10

代表论文

• CP2K: An electronic structure and molecular dynamics software package - Quickstep: Efficient and accurate electronic structure calculations. (2020 · Journal of Chemical Physics · 被引 3700)
• Roadmap on electronic structure codes in the exascale era (2022 · Modelling and Simulation in Materials Science and Engineering · 被引 52)
• Towards electronic structure-based ab-initio molecular dynamics simulations with hundreds of millions of atoms (2021 · Parallel Computing · 被引 46)
• Reduced density-matrix functionals from many-particle theory (2017 · 被引 37)
• Reduced density-matrix functionals applied to the Hubbard dimer (2015 · 被引 30)
• The CP2K Program Package Made Simple (2025 · Journal of Physical Chemistry B · 被引 28)