Johannes Hachmann

PhD

Johannes Hachmann

PhD

Johannes Hachmann

PhD

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

hachmann@buffalo.edu

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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.

Research projects

1/26/17

The Hachmann lab group aims to chart new paths in data-driven in silico research and a rational design paradigm.

Johannes Hachmann in the news