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Andreas Savin

Andreas Savin

Overview

Andreas Savin is affiliated with Sorbonne University in France and specializes primarily in the fields of Physics and Astronomy, with a focus on Atomic and Molecular Physics, and Optics. Their research encompasses several scientific subfields including Materials Chemistry, Computational Theory and Mathematics, Spectroscopy, and Electrical and Electronic Engineering.

The scientist's main research topics include Advanced Chemical Physics Studies, Spectroscopy and Quantum Chemical Studies, and Machine Learning in Materials Science. Additional topics of interest are Computational Drug Discovery Methods, Molecular Junctions and Nanostructures, Analytical Chemistry and Chromatography, and Water Quality Monitoring and Analysis.

The most frequent venues where their research has been published include The Journal of Chemical Physics, Faraday Discussions, and The Journal of Physical Chemistry A. Other platforms used are arXiv (Cornell University) and Machine Learning Science and Technology.

Recent notable publications by Andreas Savin include:

  • "DFT exchange: sharing perspectives on the workhorse of quantum chemistry and materials science," 2022, Physical Chemistry Chemical Physics
  • "Impact of non-normal error distributions on the benchmarking and ranking of quantum machine learning models," 2020, Machine Learning Science and Technology
  • "Probabilistic performance estimators for computational chemistry methods: Systematic improvement probability and ranking probability matrix. I. Theory," 2020, The Journal of Chemical Physics
  • "Models and corrections: Range separation for electronic interaction-Lessons from density functional theory," 2020, The Journal of Chemical Physics
  • "Probabilistic performance estimators for computational chemistry methods: Systematic improvement probability and ranking probability matrix. II. Applications," 2020, The Journal of Chemical Physics

The scientist collaborates frequently with several coauthors including Pascal Pernot, Anthony Scemama, Trygve Helgaker, Nikitas I. Gidopoulos, and Katarzyna Pernal, reflecting collaborative research efforts within computational and theoretical chemistry.

Best Publications

  • Classification of chemical bonds based on topological analysis of electron localization functions

    B. Silvi;A. Savin

  • ELF: The Electron Localization Function

    Andreas Savin;Reinhard Nesper;Steffen Wengert;Thomas F. Fässler

  • Energy-adjusted pseudopotentials for the rare earth elements

    M. Dolg;H. Stoll;A. Savin;H. Preuss

  • Electron Localization in Solid-State Structures of the Elements: the Diamond Structure

    Andreas Savin;Ove Jepsen;Jürgen Flad;Ole Krogh Andersen

  • Combining long-range configuration interaction with short-range density functionals

    Thierry Leininger;Hermann Stoll;Hans-Joachim Werner;Andreas Savin

  • A New Look at Electron Localization

    A. Savin;A. D. Becke;J. Flad;R. Nesper

  • Topological analysis of the electron localization function applied to delocalized bonds

    A. Savin;B. Silvi;F. Colonna

  • Long-range/short-range separation of the electron-electron interaction in density functional theory

    Julien Toulouse;François Colonna;Andreas Savin

  • Escaping the symmetry dilemma through a pair-density interpretation of spin-density functional theory

    John P. Perdew;John P. Perdew;John P. Perdew;Andreas Savin;Andreas Savin;Andreas Savin;Kieron Burke;Kieron Burke;Kieron Burke

  • Density functionals for the Yukawa electron-electron interaction

    Andreas Savin;Heinz‐Jürgen Flad

  • van der Waals forces in density functional theory: Perturbational long-range electron-interaction corrections

    Janos G. Angyan;Iann C. Gerber;Andreas Savin;Julien Toulouse

  • Adiabatic-connection fluctuation-dissipation density-functional theory based on range separation.

    Julien Toulouse;Iann C. Gerber;Georg Jansen;Andreas Savin

  • Atomic shell structure and electron numbers

    M. Kohout;A. Savin

  • A Systematic Failing of Current Density Functionals: Overestimation of Two-Center Three-Electron Bonding Energies

    Benoît Braïda;Philippe C. Hiberty;Andreas Savin

  • Relationship of Kohn-Sham eigenvalues to excitation energies

    A. Savin;C.J. Umrigar;Xavier Gonze

  • Double-hybrid density-functional theory made rigorous

    Kamal Sharkas;Julien Toulouse;Andreas Savin

  • A correlation-energy density functional for multideterminantal wavefunctions

    Burkhard Miehlich;Hermann Stoll;Andreas Savin

  • Die Elektronenlokalisierungsfunktion ELF

    Andreas Savin;Reinhard Nesper;Steffen Wengert;Thomas F. Fässler

  • The electron localization function (ELF) and its relatives : interpretations and difficulties

    Andreas Savin

  • On the Bonding in Carbosilanes

    Andreas Savin;Heinz‐Jürgen Flad;Jürgen Flad;Heinzwerner Preuss

Frequent Co-Authors

Trygve Helgaker
Trygve Helgaker University of Oslo
János G. Ángyán
János G. Ángyán University of Lorraine
Heinzwerner Preuss
Heinzwerner Preuss University of Stuttgart
Hermann Stoll
Hermann Stoll University of Stuttgart
Gustavo E. Scuseria
Gustavo E. Scuseria Rice University
Kieron Burke
Kieron Burke University of California, Irvine
Hans Georg von Schnering
Hans Georg von Schnering Max Planck Society
John P. Perdew
John P. Perdew Tulane University
Weitao Yang
Weitao Yang Duke University
Rodolphe Vuilleumier
Rodolphe Vuilleumier École Normale Supérieure

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