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Johannes Hachmann

  • Dr.
  • Assistant Professor
  • University at Buffalo - The State University of New York
  • 9h-indexImpact measure calculated using publication and citation counts. Updated daily.
  • 1044CitationsNumber of citations received by Johannes's publications. Updated daily.

Other IDs

Research interests

Rational DesignMachine LearningData MiningMaterials InformaticsComputational Materials ScienceCondensed Matter PhysicsMolecular Quantum MechanicsComputational ChemistryQuantum ChemistryTheoretical ChemistryElectronic Structure Theory


My work combines quantum chemical modeling with virtual high-throughput and Big Data techniques as well as data mining ideas from machine learning and informatics. This approach facilitates an understanding of structure-property relationships in order to development rational design capabilities. Particular applications are the areas of catalysis and advanced materials.

Co-authors (42)

Recent publications

  • Building and deploying a cyberinfrastructure for the data-driven design of chemical systems and the exploration of chemical space

    • Hachmann J
    • Afzal M
    • Haghighatlari M
    • et al.
    Get full text
  • Combining first-principles and data modeling for the accurate prediction of the refractive index of organic polymers

    • Afzal M
    • Cheng C
    • Hachmann J
    Get full text

Professional experience

Assistant Professor

University at Buffalo, The State University of New York

January 2014 - Present

Postdoctoral Research Fellow

Harvard University, Department of Chemistry and Chemical Biology

November 2009 - January 2014(4 years)

Graduate Research Assistent

Cornell University

August 2004 - October 2009(5 years)


M.Sc., Ph.D.

Cornell University, Department of Chemistry and Chemical Biology

August 2004 - February 2010(6 years)


Friedrich-Schiller-Universität Jena, School of Chemical and Earth Sciences

October 1999 - November 2004(5 years)

University of Cambridge, Cambridge University Centre for Computational Chemistry

October 2003 - July 2004(9 months)