Prof. Dr. Frank Noé

Prof. Dr. Frank Noé

Freie Universität Berlin
Fachbereich Mathematik und Informatik
Arnimallee 6
14195 Berlin, Germany
Phone: +49 (30) 838 75354

Position and Status

Professor of (W2), Promotion to W3 pending

Scholarships and awards

2019 - Offer for Francis Crick endowed chair / full professorship at UC San Diego (rejected). Retention offer at FU Berlin (accepted), pending promotion to W3
2019 - Simons Fellow at the Institute of Pure and Applied Mathematics (IPAM)
2019 - Early-Career Award in Theoretical Chemistry of the ACS
2017 - ERC consolidator grant
2012 - Two offers for full professorships 
           (Univ. Luxembourg und Univ. Stuttgart, rejected)
           Offer for W2 Professorship (FU Berlin, accepted)
2012 - ERC Starting Grant
2007 - "Eliteprogramm für Postdoktoranden" of the federal foundation of Baden-Württemberg
2006 - Offer for permanent group leader position at staff scientists level, Oak Ridge National Laboratory, TN, USA (rejected)
2006 - Postdoctoral stipend in BIOMS, Heidelberg (3 years, 1 year realized)
2000 - 2002 - Research fellowship, CIT Cork, Ireland

University training and degree

2000 - 2002 - Master of Science in Computing, Cork Institute of Technology, Ireland (Supervisor: Paul Rothwell)
1996 - 1999 - Diplom Ingenieur (BA) in Elektrotechnik (electrical engineering), Berufsakademie Stuttgart (Supervisor: Alexander Götz)


Advanced academic qualifications

2006 - Dr. rer. nat. in Informatik und Biophysik (summa cum laude), Universität Heidelberg (Supervisor: Jeremy C. Smith und Gerhard Reinelt)


Postgraduate professional career

2015 - today - Adjunct professor position, Dept. Chemistry, Rice University Houston
2013 - today - W2 Professor for mathematical modeling in the life sciences, FU Berlin
2009 - W2 Guest professor at IWR Heidelberg as substitute for the chair "scientific computing in the life sciences"
2007 - 2013 - Nachwuchsgruppenleiter im DFG-Forschungszentrum "Matheon - Mathematik für Schlüsseltechnologien", FU Berlin
2006 - 2007 - Postdoctoral fellow in BIOMS Heidelberg (Modeling and Simulation in the Biosciences)
2002 - 2005 - Scientific assistant (predoc) at IWR Heidelberg
2000 - 2002 - Lecturer in Computer Science at Cork Institute of Technology, Ireland
1999 - 2000 - Scientific assistant (predoc) at Institute for New Media, Frankfurt

Project management

2009 - Organizer of the international workshop "Molecular Kinetics"
2011 - now - PI, DFG collaborative research center 958 "Scaffolding of Membranes"
2009 - 2012 - Fundraising and funding director for the CECAM node "Scientific computing in the molecular sciences" at FU Berlin
2009 - now - PI, DFG collaborative research center 740 "From Molecules to Modules"
2008 - now - Faculty member, International Max-Planck graduate school for computational biology and scientific computing
2008 - 2010 - PI, DFG collaborative research center 449 "Structure and function of membrane receptors"
2007 - 2014 - PI in the DFG research center Matheon

Most important publications

  1. Noé, F., Olsson, S., Köhler, J., Wu, H. (2019) Boltzmann generators: Sampling equilibrium states of many- body systems with deep learning. Science 365, eaaw1147.

  2. A. Mardt, L. Pasquali, H. Wu and F. Noé: VAMPnets: Deep learning of molecular kinetics. Nat. Commun. 9, 5 (2018)

  3. F. Paul, C. Wehmeyer, E. T. Abualrous, H. Wu, M. D. Crabtree, J. Schöneberg, J. Clarke, C. Freund, T. R. Weikl and F. Noé: Protein-peptide association kinetics beyond the seconds timescale from atomistic simulations. Nat. Commun. 8, 1095 (2017).

  4. N. Plattner, S. Doerr, G. De Fabritiis and F. Noé.: Complete protein-protein association kinetics in atomic detail revealed by molecular dynamics simulations and Markov modeling. Nat. Chem. 9, 1005-1011 (2017).

  5. Plattner, N. and F. Noé. (2015) Protein conformational plasticity and complex ligand-binding kinetics explored by atomistic simulations and Markov models. Nat. Commun. 6:7653.

  6. G. R. Bowman, V. S. Pande and F. Noé (Editors): An Introduction to Markov State Models and Their Application to Long Timescale Molecular Simulation.
    Advances in Experimental Medicine and Biology, 797. Springer (2014).

  7. K. Faelber, Y. Posor, M. Held, Y. Roske, D. Schulze, V. Haucke, F. Noé and O. Daumke. (2011) Crystal structure of nucleotide-free dynamin. Nature 477:556-560.

  8. F. Noé, S. Doose, I. Daidone, M. Löllmann, J.D. Chodera, M. Sauer and J.C. Smith. (2011) Dynamical fingerprints for probing individual relaxation processes in biomolecular dynamics with simulations and kinetic experiments. Proc. Natl. Acad. Sci. U.S.A. 108:4822-4827.

  9. J.-H. Prinz, H. Wu, M. Sarich, B.G. Keller, M. Senne, M. Held, J.D. Chodera, C. Schütte and F. Noé. (2011) Markov models of molecular kinetics: Generation and Validation. J. Chem. Phys. 134:174105.

  10. F. Noé, C. Schütte, E. Vanden-Eijnden, L. Reich and T. Weikl. (2009) Constructing the full ensemble of folding pathways from short off-equilibrium simulations. Proc. Natl. Acad. Sci. U.S.A. 106:19011-19016.