Johannes Hachmann

Johannes Hachmann is an Associate Professor in the Department of Chemical and Biological Engineering at the University at Buffalo, part of the School of Engineering and Applied Sciences. He serves as Program Director for the Engineering Sciences (Data Science) MS program and is affiliated with the Institute for Artificial Intelligence and Data Science. His research integrates computational chemistry, materials science, and data science to advance data-driven discovery in energy and electronics applications. Key affiliations include the New York State Center of Excellence in Materials Informatics (CMI) and the CDSE Graduate Program.

Education: PhD in Theoretical Chemistry from Cornell University (2010), MSc from Cornell (2007), Dipl.-Chem. from University of Jena (2004), and studies at University of Cambridge (UK).

Research interests focus on computational modeling of molecular materials and catalysts, leveraging virtual high-throughput screening (via ChemHTPS), database frameworks (ChemBDDB), and machine learning tools (ChemML). His group develops open-source software ecosystems for chemical space exploration, targeting applications in renewable energy and advanced electronics. Notable projects include the Harvard Clean Energy Project for organic photovoltaics and the creation of polyimides with enhanced optical properties.

Scientific Awards: Recognized with the ACS PHYS Postdoctoral Award, IBM-Löwdin Award, SCES Young Investigator Award, and others. His work emphasizes reproducibility and best practices in machine learning for chemistry.

Lab & Teams: Leads the Hachmann Group, advancing interdisciplinary approaches at the intersection of quantum chemistry, big data, and AI. Collaborates widely in materials informatics and energy research.