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Chemistry

D-Index
71
Citations
27295
World Ranking
5426
National Ranking
117

Overview

Andreas Hauser is affiliated with the University of Geneva in Switzerland. Their research primarily focuses on Materials Science, with significant contributions across related subfields including Materials Chemistry, Atomic and Molecular Physics and Optics, Physical and Theoretical Chemistry, Electrical and Electronic Engineering, and Electronic, Optical and Magnetic Materials.

The scientist's published work covers diverse topics in the field of materials science and chemistry, including:

  • Crystallization and Solubility Studies
  • X-ray Diffraction in Crystallography
  • Advanced Chemical Physics Studies
  • Machine Learning in Materials Science
  • Magnetism in coordination complexes
  • Computational Drug Discovery Methods
  • Catalytic Processes in Materials Science

Hauser has published extensively in several journals and venues. Frequent publication venues include:

  • The Cambridge Structural Database
  • The Journal of Chemical Physics
  • Physical Chemistry Chemical Physics
  • Chemistry - A European Journal
  • The Journal of Physical Chemistry A

Several recent papers highlight Hauser's engagement with computational chemistry, materials modeling, and chemical physics:

  • Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package (2021), published in The Journal of Chemical Physics
  • Machine Learning Approaches toward Orbital-free Density Functional Theory: Simultaneous Training on the Kinetic Energy Density Functional and Its Functional Derivative (2020), published in Journal of Chemical Theory and Computation
  • Geometry optimization using Gaussian process regression in internal coordinate systems (2020), published in The Journal of Chemical Physics
  • Metal clusters synthesized in helium droplets: structure and dynamics from experiment and theory (2020), published in Physical Chemistry Chemical Physics
  • Thermally Induced Diffusion and Restructuring of Iron Triade (Fe, Co, Ni) Nanoparticles Passivated by Several Layers of Gold (2020), published in The Journal of Physical Chemistry C

Hauser frequently collaborates with other researchers in their field. Notable co-authors include:

  • Johannes K. Krondorfer
  • Narcis Avarvari
  • Pradip Chakraborty
  • Céline Besnard
  • Mouhamadou Sy

Best Publications

  • Advances in molecular quantum chemistry contained in the Q-Chem 4 program package

    Yihan Shao;Zhengting Gan;Evgeny Epifanovsky;Andrew T. B. Gilbert

  • Thermal and Optical Switching of Iron(II) Complexes

    Philipp Gütlich;Andreas Hauser;Hartmut Spiering

  • Light-induced excited spin state trapping in a transition-metal complex: The hexa-1-propyltetrazole-iron (II) tetrafluoroborate spin-crossover system

    S. Decurtins;P. Gütlich;C.P. Köhler;H. Spiering

  • Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package

    Evgeny Epifanovsky;Andrew T.B. Gilbert;Andrew T.B. Gilbert;Xintian Feng;Xintian Feng;Joonho Lee

  • Light-induced spin crossover and the high-spin→low-spin relaxation

    Andreas Hauser

  • Light-induced excited-spin-state trapping in iron(II) spin-crossover systems. Optical spectroscopic and magnetic susceptibility study

    S. Decurtins;P. Gutlich;K. M. Hasselbach;A. Hauser

  • Thermisch und optisch schaltbare Eisen(II)‐Komplexe

    Philipp Gütlich;Andreas Hauser;Hartmut Spiering

  • A polymeric two-dimensional mixed-metal network. Crystal structure and magnetic properties of {[P(Ph)4][MnCr(ox)3]}

    Silvio Decurtins;Helmut W. Schmalle;Hans Rudolf Oswald;Anthony Linden

  • Evidence for strong mixing between the LC and MLCT excited states in bis(2-phenylpyridinato-C2,N')(2,2'-bipyridine)iridium(III)

    Mirco G. Colombo;Andreas Hauser;Hans U. Guedel

  • Reversibility of light-induced excited spin state trapping in the Fe(ptz)6(BF4)2, and the Zn1−xFex(ptz)6(BF4)2 spin-crossover systems

    Andreas Hauser

  • Thermal and light-induced spin crossover in iron(II) complexes

    Philipp Gütlich;Andreas Hauser

  • Intersystem crossing in Fe(II) coordination compounds

    Andreas Hauser

  • Cooperative phenomena and light-induced bistability in iron(II) spin-crossover compounds

    Andreas Hauser;Jelena Jeftić;Harald Romstedt;Roland Hinek

  • Intersystem crossing in the [Fe(ptz)6](BF4)2 spin crossover system (ptz=1‐propyltetrazole)

    Andreas Hauser

  • Spin-crossover in cobalt(II) imine complexes

    Itana Krivokapic;Mohamed Zerara;Max Lawson Daku;Alfredo Vargas

  • Structural determination of a short-lived excited iron(II) complex by picosecond x-ray absorption spectroscopy.

    Wojciech Gawelda;Wojciech Gawelda;Van-Thai Pham;Maurizio Benfatto;Yuri Zaushitsyn

  • Chiral three-dimensional supramolecular compounds: Homo and bimetallic oxalate and 1,2-dithiooxalate-bridged networks. A structural and photophysical study

    Silvio Decurtins;Helmut W. Schmalle;René Pellaux;Philippe Schneuwly

  • Comparison of density functionals for energy and structural differences between the high- [5T2g: (t2g)4(eg)2] and low- [1A1g: (t2g)6(eg)0] spin states of the hexaquoferrous cation [Fe(H2O)6]2+

    Antony Fouqueau;Sébastien Mer;Mark E. Casida;Latevi Max Lawson Daku

  • Low-temperature lifetimes of metastable high-spin states in spin-crossover and in low-spin iron(II) compounds: The rule and exceptions to the rule

    Andreas Hauser;Cristian Enachescu;Max Lawson Daku;Alfredo Vargas

  • Ligand field theoretical considerations

    Andreas Hauser

  • High-spin .fwdarw. low-spin relaxation kinetics and cooperative effects in the hexakis(1-propyltetrazole)iron bis(tetrafluoroborate) and [Zn1-xFex(ptz)6](BF4)2(ptz = 1-propyltetrazole) spin-crossover systems

    Andreas Hauser;Philipp Guetlich;Hartmut Spiering

Frequent Co-Authors

Silvio Decurtins
Silvio Decurtins University of Bern
Philipp Gütlich
Philipp Gütlich Johannes Gutenberg University of Mainz
Claude Piguet
Claude Piguet University of Geneva
Stéphane Petoud
Stéphane Petoud Centre national de la recherche scientifique, CNRS
Antonia Neels
Antonia Neels Swiss Federal Laboratories for Materials Science and Technology
Ferdinand Hofer
Ferdinand Hofer Graz University of Technology
Eric Vauthey
Eric Vauthey University of Geneva
François Varret
François Varret Centre national de la recherche scientifique, CNRS
José Antonio Real
José Antonio Real University of Valencia
Hans U. Güdel
Hans U. Güdel University of Bern

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