Lukas Krämer

Reversible transformations between the non-porous phases of a flexible coordination network enabled by transient porosity

The ELPA library: scalable parallel eigenvalue solutions for electronic structure theory and computational science

Going clean: structure and dynamics of peptides in the gas phase and paths to solvation

CrystalExplorer: a program for Hirshfeld surface analysis, visualization and quantitative analysis of molecular crystals

Quantum‐mechanical condensed matter simulations with CRYSTAL

NWChem: Past, present, and future

WIEN2k: An APW+lo program for calculating the properties of solids

Tailored photocleavable peptides: fragmentation and neutralization pathways in high vacuum

A comprehensive electron wavefunction analysis toolbox for chemists, Multiwfn

cp2k: atomistic simulations of condensed matter systems

Crystal Dynamics in Multi‐stimuli‐Responsive Entangled Metal–Organic Frameworks

Parallel solution of partial symmetric eigenvalue problems from electronic structure calculations