TURBOMOLE is a highly optimized software suite for large-scale quantum-chemical and
materials science simulations of molecules, clusters, extended systems, and periodic solids …

Here we present a roadmap on Photonic metasurfaces. This document consists of a number
of perspective articles on different applications, challenge areas or technologies underlying …

Metal-organic frameworks (MOFs) are a class of crystalline porous coordination materials,
which are assembled from inorganic nodes and organic linkers. Numerous applications …

We report the publication of treams, a new software for electromagnetic scattering
computations based on the T-matrix method. Besides conventional T-matrix calculations for …

Nonlinear optics is essential for many recent photonic technologies. Here, a novel multi‐
scale approach is introduced to simulate the nonlinear optical response of molecular …

A two-component contour deformation (CD) based GW method that employs frequency
sampling to drastically reduce the computational effort when assessing quasiparticle states …

The applicability of reduced scaling algorithms based on auxiliary subspace methods for the
correlation energy from the random phase approximation (RPA) as well as the correlation …

Electronic circular dichroism is an important optical phenomenon offering insights into chiral
molecular materials. On the other hand, metal–organic frameworks (MOFs) are a novel …

The accurate and efficient computation of the electromagnetic response of objects made
from artificial materials is crucial for designing photonic functionalities and interpreting …

Understanding the impact of the relativistic motion of a chiral molecule on its optical
response is a prime challenge for fundamental science, but it also has a direct practical …