Corminboeuf, Clémence - École polytechnique fédérale de Lausanne EPFL - Institute of Chemical Sciences and Engineering

个人简介

In 2007, Clémence Corminboeuf was the awardee of the Sandoz Family Foundation, which supported her first four years of research activities at the EPFL. She received her B.S. and M.S. degrees in chemistry from the University of Geneva (Switzerland). She completed her master thesis in computational chemistry at the Steacie Institute for Molecular Sciences (Canadian NRC, Ottawa) and obtained her PhD in computational/theoretical chemistry conducting research at both University of Geneva and TU-Dresden. In 2005, she became a Swiss NSF post-doctoral fellow at New York University working with the groups of Prof. Yingkai Zhang and Mark E. Tuckerman. In 2006, she joined the group of Prof. Paul von Ragué Schleyer at the University of Georgia (Athens, USA). In 2010, she received the silver medal at the European Young Chemist Award. In 2012, she was awarded an ERC starting grant and she received the Werner Prize of the Swiss Chemical Society in 2014. She was promoted associate professor in 2014.

研究领域

The research of Clémence Corminboeuf focuses on the theoretical developments and applications of innovative methods for rationally designing novel functional molecules, and materials. She co-authored more than 90 publications and her arrival at the EPFL brought novel expertise and open new research areas at the crossing between electronic structure theory and molecular design.

近期论文

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Local hybrid functionals with orbital-free mixing functions and balanced elimination of self-interaction error. P. De Silva and C. Corminboeuf. in Journal of Chemical Physics, vol. 142, p. 074111, 2015. A fast charge-dependent atom-pairwise dispersion correction for DFTB3. R. Petraglia, S. Steinmann and C. Corminboeuf. in International Journal of Quantum Chemistry, vol. Special Issue on Women in Theoretical Chemistry, 2015. Toward Functional Type III [Fe]-Hydrogenase Biomimics for H2 Activation: Insights from Computation. K. Murray, M. Wodrich, X. Hu and C. Corminboeuf. in Chemistry A European Journal, vol. 21, num. 10, p. 3987–3996, 2015. Qualitatively Incorrect Features in the TDDFT Spectrum of Thiophene-Based Compounds. A. Prlj, B. F. E. Curchod, A. Fabrizio, L. Floryan and C. Corminboeuf. in Journal of Physical Chemistry Letter, vol. 6, num. 1, p. 13-21, 2015. Direct Evaluation of the Hyperconjugative Interactions in 1,1,1-Trihaloethane (CH3CX3, X = F, Cl, and Br). Z. Chen, C. Corminboeuf and Y. Mo. in Journal Of Physical Chemistry A, vol. 118, num. 31, p. 5743-5747, 2014. Ligand-Controlled Regiodivergent Pathways of Rhodium(III)-Catalyzed Dihydroisoquinolone Synthesis: Experimental and Computational Studies of Different Cyclopentadienyl Ligands. M. Wodrich, B. Ye, J. F. Gonthier, C. Corminboeuf and N. Cramer. in Chemistry European Journal, vol. Early view, 2014. Profile: Early Excellence in Physical Organic Chemistry. C. Corminboeuf. in Journal of Physical Organic Chemistry, vol. 27, p. 373, 2014. Simultaneous Visualization of Covalent and Non-Covalent Interactions Using Regions of Density Overlap. P. De Silva and C. Corminboeuf. in Journal of Chemical Theory and Computation, vol. 10, num. 9, p. 3745–3756, 2014. Quantifying Intra- and Intermolecular Phenomena: Challenging yet Exciting Territory for Quantum Chemistry. C. Corminboeuf. accepted in Chimia, vol. 68, num. 7-8, p. 512-515, 2014. Functional carbon nanosheets prepared from hexayne amphiphile monolayers at room temperature. S. Schrettl, C. Stefaniu, C. Schwieger, G. Pasche, E. Oveisi, Y. Fontana, A. Fontcuberta i Morral, J. Reguera, R. Petraglia, C. Corminboeuf, G. Brezesinski and H. Frauenrath. in Nature Chemistry, vol. 6, p. 468-476, 2014. Adjusting the Local Arrangement of π‑Stacked Oligothiophenes through Hydrogen Bonds: A Viable Route to Promote Charge Transfer. H. Liu, E. A. G. Bremond, A. Prlj, J. Gonthier and C. Corminboeuf. in Journal of Physical Chemistry Letters, vol. 5, p. 2329-2324, 2014. Ping-Pong Protons: How Hydrogen Bonding Networks Facilitate Heterolytic Bond Cleavages in Peptide Radical Cations. K. O. Zhurov, M. D. Wodrich, C. Corminboeuf and Y. O. Tsybin. in Journal of Physical Chemistry B, vol. 118, num. 10, p. 2628-2637, 2014. Quantification and analysis of intramolecular interactions. J. F. Gonthier and C. Corminboeuf. in Chimia -Zurich-, vol. 68, num. 4, p. 221, 2014. On the Viability of Heterolytic Peptide N-Calpha Bond Cleavage in Electron Capture and Transfer Dissociation Mass Spectrometry. M. Wodrich, K. Zhurov, C. Corminboeuf and Y. Tsybin. in Journal of Physical Chemistry B, vol. 118, num. 11, p. 2985-2992, 2014. How Important is Self-Consistency for the dDsC Density Dependent Dispersion Correction?. E. A. G. Bremond, N. Golubev, S. N. Steinmann and C. Corminboeuf. in Journal of Chemical Physics, vol. 140, p. 18A516, 2014. Exploration of zeroth-order Wavefunctions and Energies for Intramolecular Symmetry-Adapted Perturbation Theory. J. Gonthier and C. Corminboeuf. in J. Chem. Phys., vol. 140, p. 154107, 2014. Minimizing Density Functional Failures for Non-covalent Interactions beyond van der Waals Complexes. C. Corminboeuf. in Account of Chemical Research, vol. 47, num. 11, p. 3217-3224, 2014. Direct Evaluation of the Hyperconjugative Interactions. Z. Chen, C. Corminboeuf and Y. Mo. in Journal of Physical Chemistry a, vol. ASAP, 2013. Hierarchically Structured Microfibers of ‘Single Stack’ Perylene Bisimide and Quaterthiophene Nanowires. R. Marty, R. Szilluweit, A. Sánchez-Ferrer, S. Bolisetty, J. Adamcik, R. Mezzenga, E.-C. Spitzner, M. Feifer, S. N. Steinmann, C. Corminboeuf and H. Frauenrath. in ACS Nano, p. 130816170609009, 2013. Bonding Analysis of Planar Hypercoordinate Atoms via the Generalized BLW-LOL. L. Bomble, S. N. Steinmann, N. Perez-Peralta, G. Merino and C. Corminboeuf. in Journal of Computational Chemistry, vol. 34, num. 26, p. 2242-2248, 2013.