activity
20162024
most citedBetter partitions of protein graphs for subsystem quantum chemistry

9 citations · 16 across the 3 of their papers we have counts for

collaborators
Showing 2024Show all

1 paper · 1 filter

physics.chem-ph2024★ 7 cited

Interoperable Workflows by Exchanging Grid-Based Data between Quantum-Chemical Program Packages

Kevin Focke, Matteo De Santis, Mario Wolter +5

Quantum-chemical subsystem and embedding methods require complex workflows that may involve multiple quantum-chemical program packages. Moreover, such workflows require the exchang…