Johannes Hachmann

Johannes Hachmann
Assistant Professor

Prof. Johannes Hachmann

 
Department of Chemical and Biological Engineering
New York State Center of Excellence in Materials Informatics
University at Buffalo, The State University of New York

612 Furnas Hall
Buffalo, NY 14260
USA

eMail: hachmann@buffalo.edu
Phone: +1-716-645-1524
Fax: +1-716-645-3822


 

About Johannes

Professional Background

  • University at Buffalo, SUNY, Department of Chemical and Biological Engineering since 2014
    • Assistant Professor
  • University at Buffalo, SUNY, New York State Center of Excellence in Materials Informatics since 2014
    • Faculty Member
  • Harvard University, Department of Chemistry and Chemical Biology2009–2014
    • Research Associate (with A. Aspuru-Guzik) 2012–2014
    • Postdoctoral Research Fellow (with A. Aspuru-Guzik) 2009–2012
  • Cornell University, Department of Chemistry and Chemical Biology 2004–2009
    • Graduate Research Assistant (with G.K.-L. Chan)
  • University of Cambridge (UK), Department of Chemistry2003–2004
    • Undergraduate Research Assistant (with N.C. Handy and H.-G. Fritsche)
  • University of Jena (Germany), Institute of Organic Chemistry and Macromolecular Chemistry 2003
    • Undergraduate Research Assistant (with J.F. Weston)
  • University of Jena (Germany), Institute of Physical Chemistry 2001–2002
    • Undergraduate Research Assistant (with U.-W. Grummt)

Education

  • Cornell University, Department of Chemistry and Chemical Biology 2004–2009
    • PhD, Theoretical Chemistry, Feb 2010
    • MSc, Theoretical Chemistry, Jan 2007
  • University of Cambridge (UK), Department of Chemistry 2003–2004
  • University of Jena (Germany), School of Chemistry and Earth Sciences 1999–2004
    • DiplChem, Theoretical Chemistry, Dec 2004
    • Predipl, Chemistry, Oct 2001

Honors & Awards

  • Computerworld Data+ Award 2013
  • RSC Scholarship Award for Scientific Excellence of the ACS Division of Chemical Information 2013
  • ACS Division of Physical Chemistry Postdoctoral Research Award 2013
  • IBM-Löwdin Award 2013
  • ICQC Outstanding Poster Award 2012
  • Finalist of the CycleCloud BigScience Challenge with Honorable Mention 2011
  • CSC Best Poster Presentation Award of the Physical, Theoretical and Computational Division 2009
  • APS Graduate Student Travel Award of the Division of Chemical Physics 2008
  • IBM-Zerner Fellowship Award 2008
  • SCES Young Investigator Award 2007
  • CCG Excellence Award of the ACS Division for Computers in Chemistry 2006
  • Kekulé Fellowship of the Fund of the German Chemical Industry 2005–2007
  • DiplChem with Distinction 2004
  • Study-Abroad-Fellowship of the German National Academic Foundation 2003–2004
  • Fellowship of the German National Academic Foundation 2000–2004

Invited Talks

  1. TBD, Workshop on Machine Learning for Many-Particle Systems, Los Angeles (CA), Feb 2015.
  2. Molecular properties of organic semiconductors from Big Data, MRS Fall Meeting, Symposium on Fundamentals of Organic Semiconductors: Synthesis, Morphology, Devices, and Theory, Boston (MA), Dec 2014.
  3. Molecular properties from Big Data, 248th ACS National Meeting, Division of Computers in Chemistry Symposium on Quantum Chemical Calculation of Molecular Properties: A Tribute to Professor Nicholas C. Handy, San Francisco (CA), Aug 2014.
  4. The Harvard Clean Energy Project – a virtual high-throughput search framework for new organic solar cell materials, 248th ACS National Meeting, Division of Energy and Fuels Symposium on Applications of Theoretical Chemistry for Energy and Fuel Production, San Francisco (CA), Aug 2014.
  5. High-throughput quantum chemistry and Big Data techniques for the rational design of organic semiconductors, Conference on Electronics Materials and Applications 2014 (EMA 2014), Symposium on ‘Computational Design of Electronic Materials’, Orlando (FL), Jan 2014.
  6. High-throughput quantum chemistry and Big Data techniques for the rational design of organic semiconductors, Special Topics in Theoretical Chemistry Seminar, Laboratory of Physical Chemistry, Swiss Federal Institute of Technology, Zurich (Switzerland), Oct 2013.
  7. From high-throughput quantum chemistry to the rational design of organic semiconductors – a big data and materials informatics approach, CECAM Workshop on Structure-property relationships of molecular precursors to organic electronics, Lausanne (Switzerland), Oct 2013.
  8. The Harvard Clean Energy Project: High-throughput screening and design of organic photovoltaic materials via automated, first-principles quantum chemistry on the IBM World Community Grid, 246th ACS National Meeting, Division of Physical Chemistry Symposium on Physical Chemistry of Solar Energy Conversion, Indianapolis (IN), Sep 2013.
  9. High-throughput and big data techniques in computational materials science, 246th ACS National Meeting, Division of Computers in Chemistry Symposium on Chemical Mechanisms in Advanced Materials, Indianapolis (IN), Sep 2013.
  10. Rational design of semiconductors for organic photovoltaics via high-throughput quantum chemistry and materials informatics, Department Seminar, School of Chemistry, University of Edinburgh, Edinburgh (Scotland), May 2013.
  11. Rationales Design von Halbleitern für organische Solarzellen durch high-throughput Quantenchemie und Materialinformatik, Theoretical Chemistry Colloquium, Institute of Physical and Theoretical Chemistry, Braunschweig University of Technology, Braunschweig (Germany), May 2013.
  12. The Harvard Clean Energy Project: Computational high-throughput screening of OPV materials on the IBM World Community Grid, Department Seminar, Department of Chemical and Biological Engineering, University at Buffalo, SUNY, Amherst (NY), Mar 2013.
  13. The Harvard Clean Energy Project: An automated, high-throughput, first-principles screening of organic photovoltaics on the World Community Grid, Séminaire du RQMP Versant Nord, Département de physique, Université de Montréal, Montréal (Canada), Mar 2012.
  14. The Harvard Clean Energy Project: A large scale computational search for new organic photovoltaics on the World Community Grid, CIMOPV (Complex Interactions & Mechanisms in Organic Photovoltaics) Workshop, Brisbane (Australia), Jul 2010.
  15. The Harvard Clean Energy Project: A large scale computational search for new organic photovoltaics, 3rd Puerto Rico NSF EPSCoR/RII IFN Annual Meeting, Rio Grande (PR), May 2010.

Professional Affiliations

  • American Ceramic Society (ACerS) since 2013
  • American Institute of Chemical Engineers (AIChE) since 2013
  • Materials Research Society (MRS) since 2012
  • Chemical Institute of Canada (CIC) 2009
  • World Association of Theoretical and Computational Chemists (WATOC) since 2008
  • Psi-k Network since 2008
  • Deutsche Physikalische Gesellschaft (DPG) (German Physical Society) since 2006
  • American Physical Society (APS) since 2006
  • American Chemical Society (ACS) since 2005
  • Arbeitsgemeinschaft Theoretische Chemie (AGTC) (Association of German Theoretical Chemists) since 2001
  • Deutsche Bunsengesellschaft für Physikalische Chemie (DBG) (German Society for Physical Chemistry) since 2001
  • Gesellschaft Deutscher Chemiker (GDCh) (Society of German Chemists) since 2000

Professional Service


Service as Editor

  • Editorial Board Member for Scientific Reports since 2014
  • Editorial Board Member for Computational Chemistry Highlights since 2014
  • Review Editorial Board Member for Frontiers in Theoretical and Computational Chemistry 2013-2018
  • Guest Editor for Molecular Systems Design and Engineering 2017/2018

Service as Reviewer and Referee

  • Reviewer (Journals) for Accounts of Chemical Research; Advanced Energy Materials; Australian Journal of Chemistry; Chemical Science; Chemistry of Materials; ChemPhysChem; Computational and Theoretical Chemistry; Energy & Environmental Science; Frontiers in Theoretical and Computational Chemistry; Inorganic Chemistry; International Journal of Quantum Chemistry; Journal of Chemical Information and Modeling; The Journal of Chemical Physics; Journal of Chemical Theory and Computation; Journal of Chemometrics; Journal of Computational Electronics; Journal of Materials Chemistry A; Journal of Molecular Modeling; The Journal of Organic Chemistry; Journal of Organometallic Chemistry; The Journal of Physical Chemistry; Journal of the Chilean Chemical Society; Macromolecules; Materials Discovery; Molecular Simulation; Nature Communications; Nature Nanotechnology; Physical Chemistry Chemical Physics; PLOS Computational Biology; Processes; Research on Chemical Intermediates; Science; SAR and QSAR in Environmental Research; Soft Matter; Synthetic Metals; Zeitschrift für Naturforschung A
  • Reviewer (Proposals) for US National Science Foundation (NSF); US Department of Energy (DOE); American Chemical Society Petroleum Research Fund (ACS PRF); Centre Européen de Calcul Atomique et Moléculaire (CECAM); German Research Foundation (DFG); UK Engineering and Physical Sciences Research Council (EPSRC); Netherlands Organisation for Scientific Research (NWO); Research Foundation Flanders (FWO); Swiss National Science Foundation (SNSF); Swiss National Supercomputing Centre (CSCS)
  • Reviewer (Theses) for University at Buffalo (multiple PhD, MSc; Chemical Engineering, Chemistry); Université de Montréal (PhD; Physics)
  • Jury Member for the Annual UB CBE Graduate Research Symposium; Annual UB CSTEP Summer Research Poster Symposium; UB Society of Women Engineers Competition; Annual ISEP Science Summit; Annual WNY Regional Science and Engineering Fair; Midwest Theoretical Chemistry Conference; ACS National Meeting PHYS Division

Service as Professional Advisor

  • Advisor for Mendeley since 2014

Service as Event Organizer

  • Co-Organizer/Co-Chair of the NSF Division of Chemistry Workshop
    CHE Workshop: Framing the Role of Big Data and Modern Data Science in Chemistry 2017
  • Co-Organizer/Chair of the ACS National Meeting PHYS Symposium
    Accelerating Discovery: Citizen Science, Big Data, and Machine Learning for Physical Chemistry 2016
  • Co-Organizer/Chair of the AIChE Annual Meeting CoMSEF/CAST Session
    Data-Driven Screening of Chemical and Materials Space 2016
  • Co-Organizer/(Co-)Chair of the AIChE Annual Meeting CoMSEF Session
    Data Mining and Machine Learning in the Molecular Sciences since 2015
  • Initiator/Organizer/Chair of the Annual UB Symposium on
    Job and Career Perspectives for Students in the Computational Sciences since 2015
  • Co-Organizer of the Annual UB CDSE Days since 2015
  • Co-Organizer of the Annual UB CBE Graduate Research Symposium since 2014
  • Co-Organizer of the UB CBE Department Seminar Series since 2014
  • Co-Organizer of the Greater Boston Area Theoretical Chemistry Lecture Series 2010–2014

Service as Community Software Developer

  • Lead-Developer/-Scientist of the ChemLG, ChemHTPS, ChemBDDB, and ChemML software ecosystem since 2014
  • Contributing Developer for the Q-Chem program package since 2010
  • Lead-Developer/-Scientist of the Harvard Clean Energy Project Database (CEPDB) 2009–2014

Service on Department Committees

  • Lead Faculty for Student Recruiting and Outreach of the UB CDSE Program since 2018
  • Lead Faculty of the Student Recruiting and Outreach Committee of the UB CBE Department since 2017
  • Lead Faculty for student recruiting and McNair Scholars outreach in the UB CBE Department 2015-2017
  • Member of the Graduate Committee of the UB CBE Department; since 2015
  • Member of the Curriculum Committee of the UB CDSE Graduate Program since 2015
  • Member of the Faculty Advisory Committee of the UB Center for Computational Research since 2015
  • Member of the IT Committee of the UB CBE Department since 2014
  • Member of the UB STEM Mentored Undergraduate Research Initiative (SMURI) 2014

Service on Faculty Search Committees

  • Faculty Search Committee Member for the UB Department of Mechanical and Aerospace Engineering 2015
  • Faculty Search Committee Member for the UB Department of Chemistry 2014

Service as Faculty Advisor on Student Initiatives

  • Founding Faculty Advisor for the UB Student Chapter of Engineers Without Borders (EWB-UB) since 2016
  • Founding Faculty Advisor for the UB Graduate Student Association Computational Science Club (CSC) since 2015

Service in Ourtreach and Mentoring

  • Research Mentor for the Louis Stokes Alliances for Minority Participation (LSAMP) Program 2017
  • Research Mentor for the NSF Research Experiences for Undergraduates (REU) Program 2006, 2008, 2010, 2011