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Chemistry

D-Index
67
Citations
19920
World Ranking
6792
National Ranking
140

Overview

Clémence Corminboeuf is a researcher affiliated with the École Polytechnique Fédérale de Lausanne in Switzerland. Their work covers a broad range of topics within Materials Science and Chemistry, with a specialization in Materials Chemistry and Organic Chemistry. Their contributions also extend into Electrical and Electronic Engineering, Computational Theory and Mathematics, and Atomic and Molecular Physics, and Optics.

The main research topics in Clémence Corminboeuf's portfolio include:

  • Machine Learning in Materials Science
  • Computational Drug Discovery Methods
  • Crystallization and Solubility Studies
  • X-ray Diffraction in Crystallography
  • Advanced Chemical Physics Studies
  • Carbon dioxide utilization in catalysis
  • Asymmetric Hydrogenation and Catalysis

Notable recent publications include:

  • "Direct Observation of Aggregation-Induced Emission Mechanism," 2020, Angewandte Chemie International Edition
  • "Machine intelligence for chemical reaction space," 2022, Wiley Interdisciplinary Reviews Computational Molecular Science
  • "The Genesis of Molecular Volcano Plots," 2021, Accounts of Chemical Research
  • "Reaction-based machine learning representations for predicting the enantioselectivity of organocatalysts," 2021, Chemical Science
  • "Data-Driven Advancement of Homogeneous Nickel Catalyst Activity for Aryl Ether Cleavage," 2020, ACS Catalysis

Corminboeuf frequently collaborates with a group of co-authors, including:

  • Rubén Laplaza
  • Matthew D. Wodrich
  • J. Terence Blaskovits
  • Alberto Fabrizio
  • Simone Gallarati

The researcher has published repeatedly in several key venues such as:

  • The Cambridge Structural Database
  • Zenodo (CERN European Organization for Nuclear Research)
  • Chemical Science
  • Journal of Chemical Theory and Computation
  • Angewandte Chemie International Edition

The diversity of publication venues and co-author network reflects a multidisciplinary approach, spanning experimental methods, computational modeling, and data-driven techniques within the chemical sciences and materials engineering domains.

Best Publications

  • Nucleus-independent chemical shifts (NICS) as an aromaticity criterion.

    Zhongfang Chen;Chaitanya S Wannere;Clémence Corminboeuf;Ralph Puchta

  • Which NICS aromaticity index for planar pi rings is best

    Hossein Fallah-Bagher-Shaidaei;Chaitanya S Wannere;Clémence Corminboeuf;Ralph Puchta

  • Induced magnetic fields in aromatic [n]-annulenes—interpretation of NICS tensor components

    Clemence Corminboeuf;Thomas Heine;Gotthard Seifert;Paul von Ragué Schleyer

  • Comprehensive Benchmarking of a Density-Dependent Dispersion Correction.

    Stephan N. Steinmann;Clemence Corminboeuf

  • Systematic errors in computed alkane energies using B3LYP and other popular DFT functionals.

    Matthew D. Wodrich;Clemence Corminboeuf;Paul von Rague Schleyer

  • A generalized-gradient approximation exchange hole model for dispersion coefficients.

    Stephan N. Steinmann;Clemence Corminboeuf

  • How accurate are DFT treatments of organic energies

    Matthew D. Wodrich;Clémence Corminboeuf;Peter R. Schreiner;and Andrey A. Fokin

  • An Unconventional Iron Nickel Catalyst for the Oxygen Evolution Reaction.

    Fang Song;Fang Song;Michael M. Busch;Benedikt Lassalle-Kaiser;Chia-Shuo Hsu

  • i-PI 2.0: A universal force engine for advanced molecular simulations

    Venkat Kapil;Mariana Rossi;Ondrej Marsalek;Ondrej Marsalek;Riccardo Petraglia

  • Transferable Machine-Learning Model of the Electron Density

    Andrea Grisafi;Alberto Fabrizio;Benjamin Meyer;David M. Wilkins

  • Simultaneous Visualization of Covalent and Noncovalent Interactions Using Regions of Density Overlap.

    Piotr de Silva;Clémence Corminboeuf

  • The magnetic shielding function of molecules and pi-electron delocalization.

    Thomas Heine;Clémence Corminboeuf;Gotthard Seifert

  • Machine learning meets volcano plots: Computational discovery of cross-coupling catalysts

    Benjamin Meyer;Boodsarin Sawatlon;Stefan Niklaus Heinen;Stefan Niklaus Heinen;O. Anatole von Lilienfeld;O. Anatole von Lilienfeld

  • Phosphoramidite ligands in iridium-catalyzed allylic substitution.

    Damien Polet;Alexandre Alexakis;Karine Tissot-Croset;Clémence Corminboeuf

  • Why are the Interaction Energies of Charge-Transfer Complexes Challenging for DFT?

    Stephan N. Steinmann;Cyril Piemontesi;Aurore Delachat;Clemence Corminboeuf

  • A System-Dependent Density-Based Dispersion Correction

    Stephan N Steinmann;Clemence Corminboeuf

  • Analysis of Aromatic Delocalization: Individual Molecular Orbital Contributions to Nucleus-Independent Chemical Shifts

    Thomas Heine;Paul von Rague Schleyer;Clemence Corminboeuf;Gotthard Seifert

  • Evidence for d orbital aromaticity in square planar coinage metal clusters.

    Chaitanya S. Wannere;Clemence Corminboeuf;Zhi-Xiang Wang;Matthew D. Wodrich

  • Fine-tuned organic photoredox catalysts for fragmentation-alkynylation cascades of cyclic oxime ethers

    Franck Le Vaillant;Marion Garreau;Stefano Nicolai;Ganna Gryn'ova

  • Do all-metal antiaromatic clusters exist?

    Zhongfang Chen;Clémence Corminboeuf;Thomas Heine;Jon Bohmann

  • Open-Shell Nonbenzenoid Nanographenes Containing Two Pairs of Pentagonal and Heptagonal Rings.

    Junzhi Liu;Shantanu Mishra;Carlo A. Pignedoli;Daniele Passerone

Frequent Co-Authors

Thomas Heine
Thomas Heine TU Dresden
Rosario Scopelliti
Rosario Scopelliti École Polytechnique Fédérale de Lausanne
Hubert H. Girault
Hubert H. Girault École Polytechnique Fédérale de Lausanne
Jacques Weber
Jacques Weber University of Geneva
Paul v. R. Schleyer
Paul v. R. Schleyer University of Georgia
Kay Severin
Kay Severin École Polytechnique Fédérale de Lausanne
Xile Hu
Xile Hu École Polytechnique Fédérale de Lausanne
Michele Ceriotti
Michele Ceriotti École Polytechnique Fédérale de Lausanne
Zhongfang Chen
Zhongfang Chen University of Puerto Rico at Río Piedras

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