Molecular Dynamics Simulations of Proton Transfer in Ionic Liquids
Márta Gödeny (Speaker), Florian Jörg (Contributor), Nora Kovacs (Contributor), Maximilian Kovar (Contributor), Marie Parteder (Contributor) & Christian Schröder (Contributor)
Activity: Talks and presentations › Talk or oral contribution › Science to Science
Decomposition, interpretation and prediction of various ionic liquid solvation parameters: Kamlet-Taft, Catalan and Reichardt's dye
Christian Schröder (Speaker)
Activity: Talks and presentations › Talk or oral contribution › Science to Science
Polarizable MD Simulations including proton transfer of the M2 ion channel
Christian Schröder (Invited speaker)
Activity: Talks and presentations › Talk or oral contribution › Science to Science
Polarizable MD Simulations including proton transfer of the M2 ion channel
Christian Schröder (Invited speaker)
Activity: Talks and presentations › Talk or oral contribution › Science to Science
Polarizable MD Simulations including proton transfer of the M2 ion channel
Christian Schröder (Invited speaker)
Activity: Talks and presentations › Talk or oral contribution › Science to Science
Charge and Proton Transfer in polarizable molecular dynamics simulations of ionic liquids
Christian Schröder (Speaker)
Activity: Talks and presentations › Talk or oral contribution › Science to Science
Charge and Proton Transfer in polarizable molecular dynamics simulations of ionic liquids
Christian Schröder (Speaker)
Activity: Talks and presentations › Talk or oral contribution › Science to Science
Nuclear Overhauser spectroscopy in hyperpolarized water - chemical vs. magnetic exchange
Ludovica Martina Epasto (Speaker), Philipp Honegger (Contributor), Kateryna Che (Contributor), Fanny Kozak (Contributor), Florian Jörg (Contributor), Pavel Kaderavek (Contributor), Christian Schröder (Contributor) & Dennis Kurzbach (Contributor)
Activity: Talks and presentations › Talk or oral contribution › Science to Science
Comparison of Computational IR Spectra of Ionic Liquids
Andras Szabadi (Speaker) & Christian Schröder (Contributor)
Activity: Talks and presentations › Talk or oral contribution › Science to Science
Investigating the transport of Excess Protons in a Protic Ionic Liquid via Polarizable Molecular Dynamics using Protex
Márta Gödeny (Speaker) & Christian Schröder (Contributor)
Activity: Talks and presentations › Talk or oral contribution › Science to Science
Nuclear Overhauser spectroscopy in hyperpolarized water - chemical vs. magnetic exchange
Ludovica Martina Epasto (Speaker), Philipp Honegger (Contributor), Kateryna Che (Contributor), Fanny Kozak (Contributor), Florian Jörg (Contributor), Pavel Kaderavek (Contributor), Christian Schröder (Contributor) & Dennis Kurzbach (Contributor)
Activity: Talks and presentations › Talk or oral contribution › Science to Science
Nuclear Overhauser spectroscopy in hyperpolarized water - chemical vs. magnetic exchange
Ludovica Martina Epasto (Speaker), Philipp Honegger (Contributor), Kateryna Che (Contributor), Fanny Kozak (Contributor), Florian Jörg (Contributor), Christian Schröder (Contributor) & Dennis Kurzbach (Contributor)
Activity: Talks and presentations › Talk or oral contribution › Science to Science
Charge and proton transfer in polarizable molecular dynamics simulations of ionic liquids
Christian Schröder (Speaker)
Activity: Talks and presentations › Talk or oral contribution › Science to Science
Protex - a python utility for proton exchange in molecular dynamics simulations
Florian Jörg (Speaker) & Christian Schröder (Contributor)
Activity: Talks and presentations › Talk or oral contribution › Science to Science
Integrating Dissolution DNP Hyperpolarized computation to characterize complex systems
Dennis Kurzbach (Speaker), Ludovica Martina Epasto (Contributor), Kateryna Che (Contributor), Fanny Kozak (Contributor), Pavel Kadeřávek (Contributor), Philipp Honegger (Contributor) & Christian Schröder (Contributor)
Activity: Talks and presentations › Talk or oral contribution › Science to Science
Polarizable proton transfer molecular dynamics simulations of 1- methylimidazolium acetate
Christian Schröder (Invited speaker)
Activity: Talks and presentations › Talk or oral contribution › Science to Science
Computational NMR spectroscopy of ionic liquids: Fast-field cycling and Nuclear Overhauser effect
Christian Schröder (Speaker)
Activity: Talks and presentations › Talk or oral contribution › Science to Science
Temperature dependence of the structure and dynamics in ionic liquids
Christian Schröder (Invited speaker)
Activity: Talks and presentations › Talk or oral contribution › Science to Science
Electrostatic interactions in ionic liquids
Christian Schröder (Invited speaker)
Activity: Talks and presentations › Talk or oral contribution › Science to Science
Polarizability effects in ionic liquids
Christian Schröder (Invited speaker)
Activity: Talks and presentations › Talk or oral contribution › Science to Science
Computational spectroscopy of ionic liquids
Christian Schröder (Invited speaker)
Activity: Talks and presentations › Talk or oral contribution › Science to Science
Computing atomic polarizabilites in ground and excited state
Christian Schröder (Speaker)
Activity: Talks and presentations › Talk or oral contribution › Science to Science
Computational solvation analysis of biomolecules in aqueous ionic liquid mixtures
Christian Schröder (Invited speaker)
Activity: Talks and presentations › Talk or oral contribution › Science to Science
How to predict physico-chemicel properties from MD simulations
Christian Schröder (Invited speaker)
Activity: Talks and presentations › Talk or oral contribution › Science to Science
How to predict physicochemical properties of ionic liquids from MD simulations
Christian Schröder (Speaker)
Activity: Talks and presentations › Talk or oral contribution › Science to Science
Polarizability effects in ionic liquids
Christian Schröder (Invited speaker)
Activity: Talks and presentations › Talk or oral contribution › Science to Science
Polarizability effects in ionic liquids
Christian Schröder (Invited speaker)
Activity: Talks and presentations › Talk or oral contribution › Science to Science
Computational Spectroscopy
Christian Schröder (Invited speaker)
Activity: Talks and presentations › Talk or oral contribution › Science to Science
The birth of a micelle
Christian Schröder (Invited speaker)
Activity: Talks and presentations › Talk or oral contribution › Science to Science
Polarizable MD Simulation of Ionic Liquids
Christian Schröder (Speaker)
Activity: Talks and presentations › Talk or oral contribution › Science to Science
Computational spectroscopy of (polarizable) ionic liquids
Christian Schröder (Invited speaker)
Activity: Talks and presentations › Talk or oral contribution › Science to Science
Computational solvation dynamics spectroscopy
Christian Schröder (Invited speaker)
Activity: Talks and presentations › Talk or oral contribution › Science to Science
Polarizability effects in ionic liquids
Christian Schröder (Speaker)
Activity: Talks and presentations › Talk or oral contribution › Science to Science
Polarizability effects in ionic liquids
Christian Schröder (Speaker)
Activity: Talks and presentations › Talk or oral contribution › Science to Science
Polarizability effects in ionic liquids
Christian Schröder (Speaker)
Activity: Talks and presentations › Talk or oral contribution › Science to Science
Polarizability in ionic liquids
Christian Schröder (Speaker)
Activity: Talks and presentations › Talk or oral contribution › Other
Computational Solvation Dynamics Spectroscopy of Coumarin C153 and Oxyquinolines in various solvents
Christian Schröder (Invited speaker)
Activity: Talks and presentations › Talk or oral contribution › Other
Computational dielectric Spectroscopy
Christian Schröder (Invited speaker)
Activity: Talks and presentations › Talk or oral contribution › Other
Water meets Ionic Liquids: from homogeneous Mixtures to micellar systems in MD Simulations
Christian Schröder (Invited speaker)
Activity: Talks and presentations › Talk or oral contribution › Other
Solvation in ionic liquids: From chromophores to proteins
Christian Schröder (Speaker)
Activity: Talks and presentations › Talk or oral contribution › Other
Ionic Liquids at Charged Biological processes
Christian Schröder (Invited speaker)
Activity: Talks and presentations › Talk or oral contribution › Other
Polarizability effects in ionic liquids
Christian Schröder (Invited speaker)
Activity: Talks and presentations › Talk or oral contribution › Other
Computational dielectric spectroscopy of proteins in various solvents
Christian Schröder (Invited speaker)
Activity: Talks and presentations › Talk or oral contribution › Other
Computational dielectric spectroscopy of proteins in various solvents
Christian Schröder (Invited speaker)
Activity: Talks and presentations › Talk or oral contribution › Other
Polarizability effects in ionic liquids
Christian Schröder (Invited speaker)
Activity: Talks and presentations › Talk or oral contribution › Other
MD Simulations of ionic liquids at biological (charged) interfaces
Christian Schröder (Invited speaker)
Activity: Talks and presentations › Talk or oral contribution › Other
Hydrated ionic liquids: electrolytes or mixtures of polar solvents
Christian Schröder (Speaker)
Activity: Talks and presentations › Talk or oral contribution › Other
Polarisability in ionic liquids
Christian Schröder (Invited speaker)
Activity: Talks and presentations › Talk or oral contribution › Other
Polarizable models of ionic liquids and their applications
Christian Schröder (Invited speaker)
Activity: Talks and presentations › Talk or oral contribution › Other
Polarisabilities in ionic liquids
Christian Schröder (Speaker)
Activity: Talks and presentations › Talk or oral contribution › Other
Polarisabilities in ionic liquids
Christian Schröder (Keynote speaker)
Activity: Talks and presentations › Talk or oral contribution › Other
Polarisabilities in ionic liquids
Christian Schröder (Keynote speaker)
Activity: Talks and presentations › Talk or oral contribution › Other
Computational dielectric spectroscopy of polarizable ionic liquids
Christian Schröder (Invited speaker)
Activity: Talks and presentations › Talk or oral contribution › Other
Computational solvation free energies: quality of force fields, affinity of amino acids for solvent water, and a methodological digression
Christian Schröder (Speaker)
Activity: Talks and presentations › Talk or oral contribution › Other
Computational (dielectric) of polarizable ionic liquids (Habilitationsvortrag)
Christian Schröder (Speaker)
Activity: Talks and presentations › Talk or oral contribution › Other
Molecular dynamic simulation of polarizable Ionic liquids
Christian Schröder (Invited speaker)
Activity: Talks and presentations › Talk or oral contribution › Other
Molecular dynamics simulation of polarizable ionic liquids
Christian Schröder (Speaker)
Activity: Talks and presentations › Talk or oral contribution › Other
Computational dielectric spectra of polarizable ionic liquids
Christian Schröder (Invited speaker)
Activity: Talks and presentations › Talk or oral contribution › Other
The influence of polarizabilities on the porperties of molecular ionic liquids : CHARMM-Meeting
Christian Schröder (Speaker)
Activity: Talks and presentations › Talk or oral contribution › Other
Computational dielectric spectra of polarizable ionic liquids
Christian Schröder (Invited speaker)
Activity: Talks and presentations › Talk or oral contribution › Other
Computational dielectric spectra of polarizable ionic liquids
Christian Schröder (Speaker)
Activity: Talks and presentations › Talk or oral contribution › Other
MD-Simulationen von molekularen ionischen Flüssigkeiten unter Berick-Sichtigung atomarer Polarisationskräfte (Bunsentagung)
Christian Schröder (Speaker)
Activity: Talks and presentations › Talk or oral contribution › Other
Molecular dynamics simulations of molecular ionic liquids
Christian Schröder (Invited speaker)
Activity: Talks and presentations › Talk or oral contribution › Other
Molecular Dynamics simulations of molecular ionic liquids
Christian Schröder (Invited speaker)
Activity: Talks and presentations › Talk or oral contribution › Other
Molecular Dynamics Simulations of molecular ionic liquids
Christian Schröder (Keynote speaker)
Activity: Talks and presentations › Talk or oral contribution › Other
Dielectric properties of Neat Ionic Liquids of Mixtures of water and as solvent for Biomolecules
Christian Schröder (Speaker)
Activity: Talks and presentations › Talk or oral contribution › Other
On the collective network of ionic liquid/water mixtures
Christian Schröder (Speaker)
Activity: Talks and presentations › Talk or oral contribution › Other
On the collective network of ionic liquid/water mixtures
Christian Schröder (Speaker)
Activity: Talks and presentations › Talk or oral contribution › Other
On the collective network of ionic liquid/water mixtures
Christian Schröder (Speaker)
Activity: Talks and presentations › Talk or oral contribution › Other
parallel performance of molecular dynamics simulation
Christian Schröder (Speaker)
Activity: Talks and presentations › Talk or oral contribution › Other
3D Fast Fourier transform in Charmm II
Christian Schröder (Speaker)
Activity: Talks and presentations › Talk or oral contribution › Other
3D Fast Fourier transform in Charmm
Christian Schröder (Speaker)
Activity: Talks and presentations › Talk or oral contribution › Other
Enhancing trajectory production in molecular dynamics
Christian Schröder (Speaker)
Activity: Talks and presentations › Talk or oral contribution › Other
Department of Computational Biological Chemistry
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EDV-Beauftragter
Sicherheitsvertrauensperson
Währinger Straße 17
1090 Wien
Room: EG2/3
T: +43-1-4277-52711