Johannes Hachmann


Dr. Hachmann.

Johannes Hachmann


Johannes Hachmann


Research Topics

Computational chemistry and materials science; virtual high-throughput and Big Data; machine learning; electronic structure theory and methods; quantum effects in catalysis and materials; rational design

Contact Information

612 Furnas Hall

Buffalo NY, 14260

Phone: (716) 645-1524

Fax: (716) 645-3822

Biography Publications Teaching Research

Our research is concerned with one of the most demanding and simultaneously rewarding challenges for computational chemistry: the accurate modeling of coordination compounds and predictive simulation of catalytic processes. We address real-life chemical problems ranging from transition metal complexes with exotic properties to bio-, organo-, and metal-catalysis. A second area of interest is the development of electronic materials, in particular for renewable energy technology. Quantum effects play an important role in both these areas, and we employ cutting-edge computational techniques in carefully designed studies to account for them.

Hachmann Research Group.

Hachmann Research Group, photo taken July 2018

Research projects

Johannes Hachmann in the news