Dominik Marx focuses on Chemical physics, Ab initio, Molecule, Molecular dynamics and Electronic structure. His Chemical physics study combines topics in areas such as Hydrogen, Solvation, Hydrogen bond, Computational chemistry and Proton. His Ab initio study combines topics from a wide range of disciplines, such as Path integral molecular dynamics, Software engineering, Ab initio quantum chemistry methods and Density functional theory.
His research integrates issues of Monolayer, Adsorption, Stereochemistry, Dissociation and Scanning tunneling microscope in his study of Molecule. Dominik Marx has researched Molecular dynamics in several fields, including Bacteriorhodopsin, Molecular physics, Excited state, Proton transport and Infrared spectroscopy. His Electronic structure research incorporates elements of Plane wave, SIESTA, Theoretical physics, Chemical bond and Basis set.
His main research concerns Chemical physics, Ab initio, Molecule, Molecular dynamics and Computational chemistry. His Chemical physics study integrates concerns from other disciplines, such as Solvation, Cluster, Hydrogen bond, Atomic physics and Proton. Dominik Marx usually deals with Solvation and limits it to topics linked to Aqueous solution and Inorganic chemistry.
His Ab initio course of study focuses on Ab initio quantum chemistry methods and Molecular physics. His work in Molecule tackles topics such as Infrared spectroscopy which are related to areas like Dipole. His biological study spans a wide range of topics, including Photochemistry, Proton transport and Physical chemistry.
The scientist’s investigation covers issues in Chemical physics, Solvation, Molecule, Ab initio and Aqueous solution. His Chemical physics research incorporates themes from Potential energy surface, Molecular dynamics, Spectroscopy, Dielectric and Intramolecular force. His studies in Solvation integrate themes in fields like Alcohol oxidation, Hydronium, Heterogeneous catalysis and Intermolecular force.
While the research belongs to areas of Molecule, he spends his time largely on the problem of Colloidal gold, intersecting his research to questions surrounding Oxygen. His studies deal with areas such as Photochemistry and Dissociation as well as Ab initio. Dominik Marx has included themes like Polarization, Electronic structure and Terahertz radiation in his Aqueous solution study.
Dominik Marx spends much of his time researching Chemical physics, Ab initio, Solvation, Molecule and Photochemistry. His work carried out in the field of Chemical physics brings together such families of science as Dipole, Proton, Atomic physics and Terahertz radiation. His Ab initio research integrates issues from Electronic structure, Chemical reaction, Dissociation and Aqueous solution.
His Solvation research includes themes of Amino acid, Biophysics and Hydronium. Dominik Marx combines subjects such as Computational chemistry and Amide with his study of Amino acid. His study in Molecule is interdisciplinary in nature, drawing from both Stereochemistry and Infrared spectroscopy.
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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.
Density-functional study of the structure and stability of ZnO surfaces
B. Meyer;Dominik Marx.
Physical Review B (2003)
On the quantum nature of the shared proton in hydrogen bonds
Mark E. Tuckerman;Dominik Marx;Michael L. Klein;Michele Parrinello.
Ab Initio Molecular Dynamics: Basic Theory and Advanced Methods
Dominik Marx;Jürg Hutter.
Physics Today (2009)
AB INITIO PATH INTEGRAL MOLECULAR DYNAMICS : BASIC IDEAS
Dominik Marx;Michele Parrinello.
Journal of Chemical Physics (1996)
Aqueous Basic Solutions: Hydroxide Solvation, Structural Diffusion, and Comparison to the Hydrated Proton
Dominik Marx;Amalendu Chandra;Mark E. Tuckerman.
Chemical Reviews (2010)
Tunnelling and zero-point motion in high-pressure ice
Magali Benoit;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.
Proceedings of the National Academy of Sciences of the United States of America (2010)
Ab initio molecular dynamics: Theory and Implementation
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