Johannes Hachmann

Dr. Johannes Hachmann is a computational and theoretical chemist and holds a position as an Associate Professor of Chemical Engineering at UB. He is also the Director of UB’s Engineering Science in Data Science graduate program, a Core Faculty Member of the UB Computational and Data-Enabled Science and Engineering graduate program, and a Faculty Member of the New York State Center of Excellence in Materials Informatics. His research brings together (first-principles) molecular and materials modeling with virtual high-throughput screening and modern data science (i.e., the use of database technology, machine learning, and informatics) to advance a data-driven discovery and rational design paradigm in the chemical and materials disciplines. One of the centerpieces of his group’s efforts is the creation of the open, general-purpose software ecosystem ChemEco for the data-driven in silico creation of chemical systems and the exploration of chemical space.

• Quantum chemistry
• Computational chemistry
• Big data
• Materials informatics
• Machine learning