Prof. Dr. Cecilia Clementi

Cecilia Clementi

Freie Universität Berlin
Fachbereich Physik
Arnimallee 14
14195 Berlin
Phone: +1-832-876-2365
E-mail: Cecilia.Clementi@fu-berlin.de


Research Area

Theoretical and Computational Biophysics


Position and Status

Professor of Physics (W3) at Freie Universität Berlin from June 1, 2020
Currently: Professor of Chemistry at Rice University, Houston, TX USA 
and Einstein Visiting Professor at Freie Universität Berlin


Scholarships and awards

2016 - present - co-Director of NSF-funded Molecular Sciences Software Institute (MolSSI)
2016 - 2019 - Einstein Visiting Fellowship, Einstein Foundation, Berlin, Germany
2014 - Hamill Innovation award, Rice University, Houston, TX USA
2009 - Welch Foundation Norman Hackerman Award in Chemical Research
2007 - Hamill Innovation award, Rice University, Houston, TX USA
2004 - 2009 - NSF-CAREER award
2001 - 2004 - Norman Hackerman Welch Young Investigator award
1998 - 2001 - La Jolla Interfaces in Science (LJIS) fellowship
1995 - 1998 - SISSA research scholarship



University training and degree

10/1995 - 10/1996 - Master program in Physics at the International School for Advanced Studies, in Trieste, Italy
09/1990 - 02/1995 - Bachelor program in Physics at the University of Florence, Italy

 

Advanced academic qualifications

1998 - PhD in Physics, International School for Advanced Studies, in Trieste, Italy

 

Postgraduate professional career

07/2009 - present - Full Professor of Chemistry at Rice University, Houston TX USA
07/2007 - 07/2009 - Associate Professor of Chemistry at Rice University, Houston TX USA
10/2001 - 07/2007 - Assistant Professor of Chemistry at Rice University, Houston TX USA
10/1998 - 09/2001 - Postdoctoral researcher at the University of California San Diego, San Diego, USA

Coordinating functions and editorial work

2017 – present - Advisor Board member of the Journal of Computational and Theoretical Chemistry

2016 - present - co-Director of NSF-funded Molecular Sciences Software Institute (MolSSI)
2015 - present - UCLA Institute for Pure and Applied Mathematics (IPAM), Scientific Advisory Board Member
2015 - present - associated editor of J. Chem. Theory Comput.
2008 - 2012 - International Human Frontier Science Program (HFSP), Review Committee for Fellowships
2008 - 2010 - Volkswagen Foundation, Scientific Board Panel Member

Most important publications

  1. Yang, W., Templeton, C., Rosenberger, D., Bittracher, A., Nüske, F., Noé, F. & Clementi, C. Slicing and Dicing: Optimal Coarse-Grained Representation to Preserve Molecular Kinetics. ACS Central Science 9, 186-196 (2023). https://doi.org/10.1021/acscentsci.2c01200
  2. Mardt, A., Hempel, T., Clementi, C. & Noé, F. Deep learning to decompose macromolecules into independent Markovian domains. Nature Communications 13, 7101 (2022). https://doi.org/10.1038/s41467-022-34603-z
  3. Husic, B. E., Charron, N. E., Lemm, D., Wang, J., Pérez, A., Majewski, M., Krämer, A., Chen, Y., Olsson, S., de Fabritiis, G., Noé, F. & Clementi, C. Coarse graining molecular dynamics with graph neural networks. The Journal of Chemical Physics 153 (2020). https://doi.org/10.1063/5.0026133
  4. Wang, J., Olsson, S., Wehmeyer, C., Pérez, A., Charron, N. E., de Fabritiis, G., Noé, F. & Clementi, C. Machine Learning of Coarse-Grained Molecular Dynamics Force Fields. ACS Central Science 5, 755-767 (2019). https://doi.org/10.1021/acscentsci.8b00913 5
  5. Chen, J., Chen, J., Pinamonti, G. & Clementi, C. Learning Effective Molecular Models from Experimental Observables. Journal of Chemical Theory and Computation 14, 3849-3858 (2018). https://doi.org/10.1021/acs.jctc.8b00187
  6. Noé, F. & Clementi, C. Collective variables for the study of long-time kinetics from molecular trajectories: theory and methods. Current Opinion in Structural Biology 43, 141-147 (2017). https://doi.org/10.1016/j.sbi.2017.02.006
  7. Olsson, S., Wu, H., Paul, F., Clementi, C. & Noé, F. Combining experimental and simulation data of molecular processes via augmented Markov models. Proceedings of the National Academy of Sciences 114, 8265-8270 (2017). https://doi.org/10.1073/pnas.1704803114 18CRC/TRR 186 – Cecilia Clementi
  8. Das, P., Moll, M., Stamati, H., Kavraki, L. E. & Clementi, C. Low-dimensional, free-energy landscapes of protein-folding reactions by nonlinear dimensionality reduction. Proceedings of the National Academy of Sciences 103, 9885-9890 (2006). https://doi.org/10.1073/pnas.0603553103
  9. Matysiak, S. & Clementi, C. Minimalist Protein Model as a Diagnostic Tool for Misfolding and Aggregation. Journal of Molecular Biology 363, 297-308 (2006). https://doi.org/10.1016/j.jmb.2006.07.088
  10. Das, P., Matysiak, S. & Clementi, C. Balancing energy and entropy: A minimalist model for the characterization of protein folding landscapes. Proceedings of the National Academy of Sciences 102, 10141-10146 (2005). https://doi.org/10.1073/pnas.0409471102