Fast & Accurate Excited-State Calculations for PCBM: TDDFT vs sTDDFT

Singlet and Triplet Exciton Transfer Integrals with FOCDFT in ADF

From Computation to Experiment: Predicting Radical Performance in Overhauser Effect DNP NMR

Coordination of Pt Single-Atom Catalysts via NMR: Experiment and Theory

New AMS Reference Paper Published

Theoretical calculations reveal origin of violet-blue emission in semiconducting 2D hybrid perovskite

Explore Perovskite Applications with AMS

Innovative X-ray technique, supported by theoretical calculations, sheds light on actinide bonding properties.

Watch the AMS Webinar Series 2024 Recordings

Video: Modeling OLED – From Molecule to Device in Data-driven R&D Acceleration