18 citations · 18 across the 2 of their papers we have counts for
2 papers
physics.chem-ph2025
Multimer Embedding for Molecular Crystals Utilizing up to Tetramer Interactions
Alexander List, A. Daniel Boese, Johannes Hoja
Molecular crystals possess a highly complex crystallographic landscape which in many cases results in the experimental observation of multiple crystal structures for the same compo…
physics.chem-ph2022★ 18 cited
A Multimer Embedding Approach for Molecular Crystals up to Harmonic Vibrational Properties
Johannes Hoja, Alexander List, A. Daniel Boese
Accurate calculations of molecular crystals are crucial for drug design and crystal engineering. However, periodic high-level density functional calculations using hybrid functiona…