Research

Research Priorities: Quantum chemistry of large chemical systems, solid-phase catalysts, zeolites, transition metal oxides, heterogenous catalyses, structure and reactivity of oxide clusters

Joachim Sauer methodically connected quantum chemical ab-initio methods with those of molecular modelling and simulation from which efficient hybrid or embedding methods arose. These allow for a hierarchical treatment of complex systems. Part of this strategy was the parameterisation of fields of force (interatomal potentials) based on ab-initio results. With the help of these methods, he and his team were able to solve several problems in zeolite catalysis. Joachim Sauer also gained key insights about active centres on the surfaces of solids by investigation model systems in their gaseous states, for example protonised water clusters. Over the last decade Joachim Sauer devoted himself increasingly to transition metal oxide catalysts (for example vanadium oxide) on carrier oxides.

Career

• 2021-2022 Key Foreign Researcher, Charles University Center of Advanced Materials (CUCAM), Prague, Czechia
• seit 2017 Senior Researcher, Humboldt University, Berlin, Germany
• since 1993 Professor (C4) of Physical and Theoretical Chemistry, Humboldt University, Berlin. Germany
• 1992-1996 Head, Research Unit “Quantum Chemistry“, Max-Planck Society, Humboldt-University, Berlin, Germany
• 1990-1991 Deputy Technical Director Catalysis and Sorption, BIOSYM Technologies Inc., San Diego, USA
• 1990-1991 Department Head, Central Institute for Physical Chemistry, Academy of Sciences, Berlin
• 1986-1989 Head, Research Group, Central Institute for Physical Chemistry, Academy of Sciences of the GDR (AdW), GDR
• 1985 Dr. sc. nat., AdW, GDR
• 1977-1991 Central Institute for Physical Chemistry, AdW
• 1977-1985 Research Associate, Central Institute for Physical Chemistry, AdW, GDR
• 1974 Dr. rer. nat., Humboldt University, Berlin, GDR
• 1973-1976 Research Assistent, Humboldt University, Berlin, GDR
• 1967-1972 Chemistry Studies, Humboldt University, Berlin, GDR

Functions

• 2022 Member, Scientific Advisory Board, Catalyst Design for Decarbonization (CD4DC), University of Chicago, Chicago, USA and European Forum for Reciprocating Compressors (EFRC)
• 2017-2020 Member, Scientific Advisory Board, CUCAM, Prague, Czechia
• since 2016 Member, Advisory Board, Journal of the American Chemical Society
• since 2015 Editor, Journal of Catalysis
• since 2015 Member, Ownership Board, Physical Chemistry – Chemical Physics
• 2013 Member, Advisory Board, Catalysis Letters
• 2013 Member, Advisory Board, Topics in Catalysis
• 2013 Chair, Scientific Advisory Board, UK Catalysis Hub, Engineering and Physical Sciences Research Council (EPSRC), Swindon, UK
• since 2012 Centre Committee, Minerva-Foundation, Max-Planck Society, Munich, Germany
• since 2011 Board of Trustees, Friede Springer Stiftung, Berlin, Germany
• since 2008 Member, Panel PE4B, European Research Council
• since 2007 Board of Trustees, Federal Institute of Materials Research and Testing (BAM), Germany
• since 2006 Committee for Chemistry, Klung-Wilhelmy-Weberbank-Award (since 2014 Klung-Wilhelmy Science Award), Otto-Klung Foundation at Freie Universität Berlin, Berlin, Germany
• since 2004 Advisory Board, Alfried Krupp Kolleg Greifswald, Greifswald, Germany
• 2004-2012 Review Board “Chemical Solid State Research“, German Research Foundation (DFG), Germany
• 1999-2011 Scientific Advisory Board, Max-Planck Institute for Coal Research, Mülheim an der Ruhr, Germany
• since 1997 Scientific Advisory Board, Found of the German Chemical Industry, Association of Chemical Industry, Frankfurt am Main, Germany
• 1998-2003 Centre Committee, Minerva-Foundation, Max-Planck Society, Munich, Germany
• 1996-2000 Standing Committee, German Bunsen Society for Physical Chemistry (DBG), Germany

Projects

• since 2022 Applicant, Project “Confine: Diffusion of Water Confined in Patterned hydrophilic-hydrophobic Nanopores“, DFG, Germany, and National Science Foundation (NSF), USA
• since 2019 Applicant, Project “Mixed metal Oxide Clusters: Model Systems for Catalytically Active Materials”, DFG, Germany
• 2015-2022 Applicant, Project “Ab initio Free Energy Calculations with Chemical accuracy for Molecule-Surface interactions“, DFG, Germany
• 2014-2018 Head, Subproject “Computational studies on microhydrated metal oxide clusters in the gas phase”, DFG, Germany
• 2014-2018 Head, Subproject “Hydration and hydrolysis in dealumination and desiliacation of zeolite frameworks”, SFB 546, DFG, Germany
• 2013-2018 Applicant, Subproject “Ab initio simulation of isotherms for gas mixtures in metal-organic frameworks”, DFG, Germany
• 2008-2011 Board Director, Principal Investigator and Coordinator, Area A, Cluster of Excellence “Unifying Concepts in Catalysis (UniCat)“, DFG, Germany
• 2008-2011 Applicant, Subproject “Redox-Active MOF-5 Isotypes: Novel Entatic State Catalysts?”, SPP 1362, DFG, Germany
• 2007-2018 Participating Researcher, Cluster of Excellence (EXC) 314 „Unifying Concepts in Catalysis”, DFG
• 2003-2011 Applicant, Subproject, “Transition structures and rate constants for elementary reaction steps in zeolithes”, SPP 1155, DFG, Germany
• 2002-2011 Head, Subproject “Structure determination of Vox and related surfaces, thin films and interfaces based on scanned-energy mode photoelectron diffraction”, SFB 546, DFG, Germany
• 2000-2008 Applicant, Subproject “Acid-base catalysed alkane activation” („Säure-Base katalysierte Alkanaktivierung“), SPP 1091, DFG, Germany
• 1999-2011 Head, Subproject “Structure and reactivity of different transition metal oxide aggregates with quantum chemical methods“ („Struktur und Reaktivität unterschiedlicher Übergangsmetalloxid-Aggregate mit quantenchemischen Methoden“), SFB 546, DFG, Germany
• 1999-2011 Head, Subproject “DFT calculations with periodic boundary conditions on the structure, dynamics and reactivity of transition metal oxides on supports in comparison to single crystals“ („DFT-Rechnungen mit periodischen Randbedingungen zur Struktur, Dynamik und Reaktivität von Übergangsmetalloxiden auf Trägern im Vergleich zu Einkristallen“), SFB 546, DFG, Germany
• 1999-2011 Spokesperson and Head, Subproject “Key tasks” („Zentrale Aufgaben“), SFB 546, DFG, Germany

Honours and Memberships

• 2023 Award in Surface Chemistry, American Chemical Society (ACS), USA
• since 2023 Member, American Academy of Arts and Sciences, USA
• since 2021 Member, Accademia delle Scienze di Torino, Turin, Italy
• since 2021 Member, International Academy of Quantum Molecular Science
• 2020 Bunsen Medal, German Bunsen Society for Physical Chemistry, Germany
• 2019 Schrödinger Medal, World Association of Theoretical and Computational Chemists (WATOC)
• since 2018 Foreign Member, Royal Society, UK
• 2013 Honorary Doctorate, University College London, London, UK
• 2010 Liebig Medal, German Chemical Society, Germany
• 2009 Kolos Medal and Lecture Award, University of Warsaw, Warsaw, Poland and Polish Chemical Society, Poland
• since 2009 Member, Academia Europaea
• since 2007 Member, German National Academy of Science Leopoldina, Germany
• since 2006 Foreign Scientific Member, Fritz-Haber Institute, Berlin, Max-Planck Society, Munich, Germany
• since 1995 Member, Berlin-Brandenburg Academy of Sciences and Humanities, Germany
• 1991 Award for Chemistry, Göttingen Academy of Sciences and Humanities in Lower Saxony, Germany
• 1991 Lecturer Fellowship, Fund of the Chemical Industry, Association of Chemical Industry, Frankfurt am Main, Germany
• 1982 Friedrich-Wöhler Award, Chemical Society, GDR