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Chemistry

D-Index
79
Citations
27770
World Ranking
3553
National Ranking
260

Overview

Dominik Marx is affiliated with Ruhr University Bochum in Germany and works primarily in the fields of Physics and Astronomy as well as Chemistry. Their research contributions focus on subfields including Atomic and Molecular Physics, and Optics, Biomedical Engineering, Materials Chemistry, Spectroscopy, and Molecular Biology.

The main topics covered by Dominik Marx's work include:

  • Spectroscopy and Quantum Chemical Studies
  • Quantum, superfluid, helium dynamics
  • Advanced Chemical Physics Studies
  • Subcritical and Supercritical Water Processes
  • Machine Learning in Materials Science
  • Electrochemical Analysis and Applications
  • Advanced NMR Techniques and Applications

Their frequent publication venues reflect a strong presence in journals related to physical chemistry and chemical physics, such as:

  • The Journal of Physical Chemistry Letters
  • Physical Chemistry Chemical Physics
  • Angewandte Chemie International Edition
  • Angewandte Chemie
  • Journal of Chemical Theory and Computation

Recent notable papers authored by Dominik Marx include:

  • "Confinement-Controlled Aqueous Chemistry within Nanometric Slit Pores," 2021, Chemical Reviews
  • "Coupled Cluster Molecular Dynamics of Condensed Phase Systems Enabled by Machine Learning Potentials: Liquid Water Benchmark," 2022, Physical Review Letters
  • "Supercritical Water is not Hydrogen Bonded," 2020, Angewandte Chemie International Edition
  • "Quantifying anisotropic dielectric response properties of nanoconfined water within graphene slit pores," 2020, Physical Chemistry Chemical Physics
  • "Infrared Spectra at Coupled Cluster Accuracy from Neural Network Representations," 2022, Journal of Chemical Theory and Computation

Dominik Marx frequently collaborates with a number of coauthors who have extensively contributed alongside them. These include Harald Forbert, Philipp Schienbein, Christoph Schran, Fabien Brieuc, and Bikramjit Sharma.

Best Publications

  • Ab Initio Molecular Dynamics: Basic Theory and Advanced Methods

    Dominik Marx;Jürg Hutter

  • The nature of the hydrated excess proton in water

    Dominik Marx;Mark E. Tuckerman;Jürg Hutter;Michele Parrinello

  • Proton transfer 200 years after von Grotthuss: insights from ab initio simulations.

    Dominik Marx

  • On the quantum nature of the shared proton in hydrogen bonds

    Mark E. Tuckerman;Dominik Marx;Michael L. Klein;Michele Parrinello

  • Density-functional study of the structure and stability of ZnO surfaces

    B. Meyer;Dominik Marx

  • Aqueous Basic Solutions: Hydroxide Solvation, Structural Diffusion, and Comparison to the Hydrated Proton

    Dominik Marx;Amalendu Chandra;Mark E. Tuckerman

  • AB INITIO PATH INTEGRAL MOLECULAR DYNAMICS : BASIC IDEAS

    Dominik Marx;Michele Parrinello

  • Dissecting the THz spectrum of liquid water from first principles via correlations in time and space.

    Matthias Heyden;Jian Sun;Stefan Funkner;Gerald Mathias;Gerald Mathias

  • Tunnelling and zero-point motion in high-pressure ice

    Magali Benoit;Dominik Marx;Michele Parrinello

  • Quantum corrections to classical time-correlation functions: hydrogen bonding and anharmonic floppy modes.

    Rafael Ramı́rez;Telesforo López-Ciudad;Padma Kumar P;Dominik Marx

  • Efficient and general algorithms for path integral Car–Parrinello molecular dynamics

    Mark E. Tuckerman;Dominik Marx;Michael L. Klein;Michele Parrinello

  • Composition, structure, and stability of the rutile TiO 2 (110) surface: Oxygen depletion, hydroxylation, hydrogen migration, and water adsorption

    Piotr M. Kowalski;Bernd Meyer;Bernd Meyer;Dominik Marx

  • Structure and dynamics of OH-(aq)

    Mark E. Tuckerman;Amalendu Chandra;Dominik Marx

  • Molecular dynamics in low-spin excited states

    Irmgard Frank;Jürg Hutter;Dominik Marx;Michele Parrinello

  • Partial dissociation of water leads to stable superstructures on the surface of zinc oxide.

    Bernd Meyer;Dominik Marx;Olga Dulub;Ulrike Diebold

  • Understanding Covalent Mechanochemistry

    Jordi Ribas-Arino;Motoyuki Shiga;Motoyuki Shiga;Dominik Marx

  • Nonadiabatic Car-Parrinello molecular dynamics.

    Nikos L. Doltsinis;Dominik Marx

  • On the applicability of centroid and ring polymer path integral molecular dynamics for vibrational spectroscopy

    Alexander Witt;Sergei D. Ivanov;Motoyuki Shiga;Harald Forbert

  • Ab initio path-integral molecular dynamics

    Dominik Marx;Michele Parrinello

  • Understanding the infrared spectrum of bare CH5

    Oskar Asvany;Padma Kumar P;Britta Redlich;Ilka Hegemann

Frequent Co-Authors

Nikos L. Doltsinis
Nikos L. Doltsinis University of Münster
Roger Rousseau
Roger Rousseau Pacific Northwest National Laboratory
Bernd Meyer
Bernd Meyer University of Erlangen-Nuremberg
Jürg Hutter
Jürg Hutter University of Zurich
Mark E. Tuckerman
Mark E. Tuckerman New York University
Martina Havenith
Martina Havenith Ruhr University Bochum
Harald Fuchs
Harald Fuchs University of Münster
Volker Staemmler
Volker Staemmler Ruhr University Bochum
Amalendu Chandra
Amalendu Chandra Indian Institute of Technology Kanpur

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