Conferences and other contributions

2020

08.03.2020 - 11.03.2020 - Annual working group workshop, Salem

Impressions

2019

28.10.2019 - 29.10.2019 - ISIS Student Meeting, Milton Hill Abingdon (England)

"When Like-Charged Ions Attract: The Influence of Hydroxyl Defects on Size and Distribution of Cationic Clusters in Ionic Liquids"(poster)
(J. Busch)

22.09.2019 - 26.09.2019 - 55th Symposium on Theoretical Chemistry, Rostock

"Hydrogen Bond Dynamics in Ionic Liquids: A Molecular Dynamics Simulation Study"(poster)
(J. Neumann)

"Studying Hydrogen Bonding in Liquid Methanol by Computing NMR and IR Properties from a Combination of MD Simulations and Ab Initi Calculations"(poster)
(J. Busch)

"Is the Existence of 'Salty Clathrate Hydrates' Possible? - A Theoretical Approach"(poster)
(S. Fritsch)

"Hydrogen Bonding in Trialkylammonium Based Protic Ionic Liquids Studied by Molecular Dynamics Simulations"(poster)
(B. Golub)

"Molecular Dynamics Simulations Mixtures of Glycerol with DMSO: Hydrogen Bonds, Structure and Dynamics"(poster)
(P. Lehmann)

 

08.09.2019 - 12.09.2019 - EMLG/JMLG Annual Meeting, Kutná Hora (Czech Republic)

"Hydrogen Bond Dynamics in Ionic Liquids: A Molecular Dynamics Simulation Study"
(J. Neumann)

"Rotational and Translational Dynamics of Protic Ionic Liquids Investigated by Means of NMR T1 Relaxation Time Experiments and Molecular Dynamics Simulations"
(A. Strate)

"Studying Hydrogen Bonding in Liquid Methanol by Computing NMR and IR Properties from a Combination of MD Simulations and Ab Initio Calculations" (Poster, winner of poster prize)
(J. Busch)

"Is the Existence of 'Salty Chlathrate Hydrates' Possible- A Theoretical Approach" (Poster)
(S. Fritsch)

04.09.2019 - 07.09.2019 - Mechanistis Catalysis - A Meeting Between Theory and Experiment, Stockholm (Sweden)

E. Oberem (invited)

27.06.2019 - 3. JCF Posterparty Rostock, Rostock

"Networking with(in) Alcohol: A Molecular Dynamics Simulation Study" (poster, winner of poster price)
(P. Lehmann)

"Computing NMR Properties from a Combination of Molecular Dynamics Simulations and Ab Initio Calculations"" (poster)
(J. Busch)

"Spectroscopic and Thermodynamic Properties of Ethanol by Means of the Quantum Cluster Equilibrium Theory" (poster)
(S. Fritsch)

"On Polarizable Simulations Using GROMACS: Advances and Challenges" (poster)
(B. Golub)

05.06.2019 - 07.06.2019 - 11th Conference on Fast Field Cycling NMR Relaxometry, Pisa (Italy)

"Rotational Correlation Times, Diffusion Coefficients and Quadrupolar Peaks in Protic Ionic Liquids by Means of 1H Fast Field Cycling NMR Relaxometry" (poster)
(V. Overbeck)

"Determination of Quadrupole Coupling Constants and Reorientational Correlation Times for Protic Ionic Liquids" (poster)
(A. Strate)

30.05.2019 - 02.06.2019 - 118.  Bunsen-Meeting, Jena

"Hydrogen Bond Lifetimes in Ionic Liquids: A Molecular Dynamics Simulation Study"
(J. Neumann)

"NMR Deuteron Quadrupole Coupling Constants of Protic Ionic Liquids"
(V. Overbeck)

"Attractive Cation-Cation Interaction in Hydroxyl-Functionalized Ionic Liquids: Structures in Bulk Phase and Gas Phase" (poster)
(A. Strate)

"The Double-Faced nature of Hydrogen Bonding in Hydroxyl-Functionalized Ionic Liquids Shown by Neutron Diffraction and Molecular Dynamics Simulations" (poster, winner of poster prize)
(T. Niemann)

"Spectroscopic and Thermodynamic Properties of Ethanol by Means of the Quantum Cluster Equilibrium Theory" (poster)
(S. Fritsch)

"Computing NMR Properties from a Combination of Molecular Dynamics Simulations and Ab Initio Calculations" (poster)
(J. Busch)

"Controlling the Balance of Contact and Solvent-Separated Ion Pairs in Mixtures of Protic Ionic Liquids and Molecular Solvents" (poster)
(P. Stange)

13.05.2019 - 17.05.2019 - 8. COIL, Beijing (China)

"Reliable NMR Deuteron Quadrupole Coupling Constants and Reorientational Correlation Times of Protic Ionic Liquids"(Poster, winner of poster price)
(V. Overbeck)

24.03.2019 - 27.03.2019 - Working Group Meeting NMR, Kloster Höchst

"Like-Charge Attraction in Ionic Liquids Studied by NMR Spectroscopy"
(A. Strate)

"Dynamic Investigations of Protic Ionic Liquids by Fast Field Cycling NMR Relaxometry"
(V. Overbeck)

10.03.2019 - 13.03.2019 - Annual working group workshop, Bad Malente

Overview and Impressions

18.02.2019 - 22.02.2019 - Training School: NMR Relaxometry Data Analysis: Theory and Software, Pavia (Italy)

V. Overbeck

2018

04.11.2018 - 08.11.2018 - EMLG/JMLG Annual Meeting and 41st Symposium on Solution Chemistry, Nagoya (Japan)

"Like Likes Like in Ionic Liquids: When Cooperative Hydrogen Bonding Overcomes Coulomb Repulsion Between Ions of Like Charge" (invited talk)
(Prof. R. Ludwig)

"Hydrogen Bonds Between Like-Charged Ions in Ionic Liquids: A Molecular Dynamics Simulation Study"
(J. Neumann)

17.09.2018 - 29.09.2018 - 2nd RoHan DAAD SDG Workshop 2018 "Catalysis Towards Sustainable Chemical Industry", Hanoi (Vietnam)

"Investigation of the Manganese Catalyzed CO2 Reduction Probed by IR Spectroscopy"
(E. Oberem)

"Homogeneous Catalytic CO2 Reduction"(poster)
(E. Oberem)

17.09.2018 - 20.09.2018 - 54th Symposium on Theoretical Chemistry (STC), Halle

"Competing Interactions in Ionic Liquids: When Cooperative Hydrogen Bonding Overcomes Coulomb Repulsion Between Ions of Like Charge"
(Prof. R. Ludwig)

10.09.2018 - 13.09.2018 - 40th FGMR Annual Discussion Meeting, Leipzig

"Rotational and Translational Dynamics in Protic Ionic Liquids by Means of Field-Cycling NMR Relaxometry"(Poster)
(V. Overbeck)

26.07.2018 - 27.07.2018 - 7th Rostocker International Conference:"Thermophysical Properties for Technical Thermodynamics", Rostock

"Understanding Transition Enthalpie of Ionic Liquids at the Molecular Level"
(Prof. R. Ludwig)

"Understanding Nonideal Mixing of Protic Ionic Liquids: MD Simulations and Lattice Models"
(D. Paschek)

21.06.2018 - 22.06.2018 - Workshop Department LL&M, Rostock

"Tanz der Kernspins im Magnetfeld: Spektroskopie und Bildgebung"
(Prof. R. Ludwig)

"Homogeneous Catalytic CO2 Reduction"(poster)
(E. Oberem)

"Characterization of Doubly Ionic Hydrogen Bonds in Protic Ionic Liquids by NMR Deuteron Quadrupole Coupling Constants – Differences to H-Bonds in Amides, Peptides and Proteins"(poster)
(A. Wulf)

21.05.2018 - 23.05.2018 - 8th Australasian Symposium on Ionic Liquids, Melbourne (Australia)

"Cationic Clustering Influences the Phase Behaviour of Ionic Liquids"(poster)
(T. Niemann)

10.05.2018 - 12.05.2018 - Bunsen-Meeting, Hannover

"Lifetimes for Cation-Anion as well as Direct Cation-Cation Hydrogen Bonds in Ionic Liquids"
(J. Neumann)

"NMR Quadrupolar Relaxation in Water Revisited: Computing the 2H- and 17O-Relaxation in Liquid and Solid Water from Ab Initio Calculations and Molecular Simulations" (poster)
(D. Paschek)

"On Polarizable Simulations Using GROMACS: Advances and Challenges" (poster)
(B. Golub)

"Rotational Correlation Times, Diffusion Coefficients and Quadrupole Relaxation Enhancement in Protic Ionic Liquids by Means of Field-Cycling NMR Relaxometry" (poster)
(V. Overbeck)

"Cationic Clustering Influences the Phase Behaviour of Ionic Liquids" (poster)
(P. Stange)

"Deuteron Quadrupole Coupling Constants and Dynamical Heterogeneities in Protic Ionic Liquids by Means of Deuteron NMR Spectroscopy" (poster)
(P. Stange)

 

 11.04.2018 - 2. JCF Posterparty Rostock, Rostock

"Applications of Molecular Dynamics Simulations"(poster, winner of poster price)
(J. Busch, R. M. Herboth)

"Iron Catalyzed CO2 Reduction Probed by IR Spectroelectrochemistry"(poster)
(E. Oberem)

"Rotational Correlation Times, Diffusion Coefficients and Quadrupole Relaxation Enhancement in Protic Ionic Liquids by Means of Field-Cycling NMR Relaxometry"(poster)
(V. Overbeck)

18.03.2018 - 21.03.2018 Annual working group workshop, Bad Malente

Overview and impressions

20.02.2018 - 23.02.2018 - AK Meeting NMR, Lichtenfels

"Probing Structure and Dynamics of Ionic Liquids by Solution, Solid-State and FFC NMR"(invited talk)
(Prof. R. Ludwig)

11.02.2018 - 16.02.2018 - XXIst Symposium on Atomic, Cluster and Surface Physics, Obergurgl (Austria)

"Cationic Clusters in Ionic Liquids: When Cooperative Hydrogen-Bonding Overcomes Coulomb Repulsion Between Ions of Like Charge"(invited talk)
(Prof. R. Ludwig)

2017

03.12.2017 - 06.12.2017 - 655. WE-Heraeus-Seminar - Surfaces and Interfaces of Ionic Liquids, Bad Honnef

"Characterization of Doubly Ionic Hydrogen Bonds in Protic Ionic Liquids by NMR Deuteron Quadrupole Coupling Constants - Differences to H-Bonds in Amides, Peptides and Proteins"(Poster)
(Prof. R. Ludwig)

"Clusters of Like-Charged Ions in OH-Functionalized Ionic Liquid: Potential Local Structures at Charged Surfaces?" (Poster)
(T. Niemann)

24.09.2017 - 29.09.2017 - Clustertreffen 2017, Burg Stahleck

"Evidence of Attractive Interactive Interactions Between Like-Charged Ions in Mass-Selected Clusters of OH-Functionalized Ionic Liquids in the Gas Phase"
(T. Niemann)

25.09.2017 - 28.09.2017 - 39th FGMR Annual Discussion Meeting, Bayreuth

"Fast Field Cycling NMR Characterization of Ionic Liquids and Electrolyte Solutions: Dynamics, Interaction and Quadrupolar Peaks"
(Prof. R. Ludwig)

"1H Relaxation Enhancement in Protic Ionic Liquids"(poster)
(V. Overbeck)

17.09.2017 - 21.09.2017 - 1st IMPRS - RECHARGE Scientific Symposium 2017 - Catalysis for Sustainable Chemical Energy Conversion (CSCEC), Duisburg

"Iron Catalyzed Carbon Dioxide Reduction Probed by IR Spectroelectrochemistry"(Poster)
(E. Oberem)

10.09.2017 - 14.09.2017 - EMLG/JMLG Annual Meeting, Vienna (Austria)

"Dynamics in Protic Ionic Liquids. What Can We Learn From Different Force Fields?"
(B. Golub)

"Influence of Like-Charged Hydrogen Bonding on the Structure and Dynamics of Ionic Liquids: A Molecular Dynamics Simualtion Study"(Poster)
(J. Neumann)

09.07.2017 - 12.07.2017  - 2. SPP 1807 Summer School, Rostock

"Dispersion Forces in Ionic Liquids - Infrared Spectroscopy and Thermodynamics"
(P. Stange)

25.05.2017 - 27.05.2017 - 116. Bunsen Meeting, Kaiserslautern

"Evidence for the Presence and Absence of Clusters of Like-Charged Ions in OH-Functionalized Ionic Liquids"
(T. Niemann)

"Structure and Dynamics of Clusters of Like-Charged Ions in Ionic Liquids"
(A. Strate)

"Structure, Dynamics and Mixing Energies in Protic Ionic Liquids. Influence of Anions and Cations: A Molecular Dynamics Simulation Study"
(B. Golub)

"A Molecular Dynamics Simulation Study of Like-Charged Hydrogen Bonding in Ionic Liquids" (poster, winner of poster price)
(J. Neumann)

"Second Osmotic Virial Coefficient for Polar and Nonpolar Solutes in Aqueous Solution from Molecular Simulation"(poster)
(E. Reiter)

"NMR Deuteron Relaxation Time Experiments in Protic Ionic Liquids Beyond the Extreme Narrowing Limit"(poster)
(V. Overbeck)

"Infrared Spectroelectrochemical and Infrared Spectroscopic Investigations of the Iron Catalyzed Carbon Dioxide Reduction"(poster)
(E. Oberem)

01.05.2017 - 12.05.2017 1st RoHan DAAD SDG Summer School, Rostock

"Infrared Spectroelectrochemical and Infrared Spectroscopic Investigations of the Iron Catalyzed Carbon Dioxide Reduction"
(E. Oberem)

"Insights into the Mechanism of Photocatalytic Watersplitting from Spectroscopy"
(R. Ludwig)

19.04.2017 - 1. JCF Posterparty Rostock, Rostock

"Infrared Spectroelectrochemical and Infrared Spectroscopic Investigations of the Iron Catalyzed Carbon Dioxide Reduction" (Poster, winner of poster price)
(E. Oberem)

"Clusters of Like Charged Ions in Ionic Liquids" (Poster)
(T. Niemann)

"Hydrogen Bonding and Mixing Energies in Protic Ionic Liquids" (Poster)
(B. Golub)

30.03.2017 - 31.03.2017 - COST CM1206 Meeting, Lyon (France)

"Protic Ionic Liqudis: Polarizable Force Fields"
(B. Golub)

12.03.2017 - 15.03.2017 - Working group workshop, Bad Malente

Overview and impressions

10.02.2017 - 17.02.2017 - Gordon Research Conference, Ventura, California (USA)

"Clusters of like charged ions in ionic liquids" (Poster)
(T. Niemann)

07.02.2017 - 10.02.2017 - ILWS2017 Winter School on Ionic Liquids, Porto (Portugal)

"Like-Charged Hydrogen Bonding in Ionic Liquids" (Poster)
(J. Neumann)

"Hydrogen Bonding and Mixing Energies in Protic Ionic Liquids" (Poster)
(B. Golub)

2016

24.11.2016 - 4. Forschungscamp Universität Rostock, Rostock

"Spectroscopic evidence for clusters of like-charged ions in ionic liquids" (Poster)
(T. Niemann)

"Solubility Convergence and Criticality in Ionic Liquids" (Poster)
(M. N. Jorabchi)

"Introduction of a new dye based RTIL to probe hydrogen bonds in Ionic Liquids" (Poster)
(S. Schmode)

11. - 16.09.2016 - EMLG Annual Meeting, Crete (Greece)

"Peculiarities of structure and dynamics in ionic liquids and their mixtures probed by spectroscopy, quantum chemistry and molecular dynamics simulations"
(R. Ludwig)

"Understanding nonideal mixing of protic ionic liquids: MD simulations and lattice models"
(D. Paschek)

"Solubility Convergence and Criticality in Ionic Liquids" (Poster)
(M. N. Jorabchi)

"Introduction of a new dye based RTIL to probe hydrogen bonds in Ionic Liquids" (Poster, winner of poster price)
(S. Schmode)

"Spectroscopic evidence for clusters of like-charged ions in ionic liquids" (Poster, winner of poster price)
(A. Strate)

03. - 08.07.2016 - 26th EUCHEM Conference on Molten Salts and Ionic Liquids, Vienna (Austria)

"Dynamics in Mixtures of Protic Ionic Liquids" (Poster)
(B.Golub)

05. - 07.05.2016 - 115. Hauptversammlung der Deutschen Bunsen-Gesellschaft für Physikalische Chemie e.V., Rostock

"Spectroscopic Evidence for Clusters of Like-Charged Ions in Ionic Liquids"
(A. Knorr)

"Mechanistic Understanding of Photocatalytic Water Reduction with Iron Carbonyl Phosphines by Means of In Situ Spectroscopy and Time Dependent - DFT Calculations"
(S. Fischer)

"Application of In Situ Infrared Spectroscopy to the Production of a Flavouring Substance"
(E. Barsch)

"Sulfide Electrolytes Based on Glyme-Lithium Salt Mixtures for New Battery Systems"
(A. Bonsa)

"A Molecular Dynamics Simulation Study of Direct Cation-Cation Interactions in Cholinium Based Ionic Liquids" (Poster)
(J. Neumann)

"Structure and Dynamics in Mixtures of Protic Ionic Liquids: A Molecular Dynamics Simulation Study" (Poster)
(B. Golub)

"Probing the Acidity and Solvent Polarity of Ionic Liquids by Determining the Spectroscopic Features of the Proton Sensitive Dye N-Methyl-6-Oxyquinolone" (Poster)
(S.Schmode)

"Solubility Convergence and Criticality in Ionic Liquids" (Poster)
(M. N. Jorabchi)

"Deuteron Quadrupole Coupling Constants and Reorientational Correlation Times in Protic Ionic Liquids by Means of NMR Relaxation Time Experiments, DFT-Calculations and Molecular Dynamics Simulations" (Poster)
(M.Strauch)

"Quantifying Dispersion Forces in Protic Ionic Liquids by Means of Low Frequency Spectroscopy" (Poster)
(P.Stange)

"The Role of Dispersion Forces for the Stability of Methane and Carbon Dioxide Gas Hydrates" (Poster)
(W. Polet)

07.02.2017 - 10.02.2017 - Working group workshop, Bad Malente

Overview and impressions

2015

13 - 18.09.2015 - 3rd International Conference on "Correlation Effects in Radiation Fields", Rostock
"Spectroscopic evidence for attractive like-charge interaction in ionic liquids"
(A. Knorr)

"Controlling the subtle energy balance in ionic liquids by means of hydrogen bonds and dispersion forces" (Poster)
(R. Ludwig)

"A Dye Based Low Melting Salt as Internal Spectroscopic Probe in Liquid Coulomb Systems" (Poster)
(S. Schmode)

"Competition of dispersion forces with hydrogen bonds in Coulombdominated liquids" (Poster)
(P. Stange)

06. - 10.09.2015 - EMLG Annual Meeting, Rostock
"Complex and Ion Pair Formation in Electrolyte Solutions probed by IR-Spectroscopy and MD-Simulations" (Poster)
(A. Appelhagen)

"Molecular understanding of non-ideal mixing behaviour in transport properties of mixtures of protic ionic liquids" (Poster)
(A.-M. Bonsa)

"Chiral ionic liquids: Structure, energetics, NMR and IR spectroscopy" (Poster) 
(K. Fumino) 

"Hydrogen Bonding in Mixtures of Protic Ionic Liquids Studied by Molecular Dynamics Simulations" (Poster, winner of poster price)
(B. Golub)

"Predicting the Temperature Dependence of Ice Growth Rates in Supercooled Water Using Molecular Dynamics Simulations" (Poster)
(S. Heckhausen)

"Direct spectroscopic evidence of cholinium 'jumping and pecking' motion and cation-cation-interaction in ionic liquids" (Poster)
(A. Knorr)

"Sorption and Diffusion of Alkanes and Alkenes in Various Ionic Liquids Studied by Molecular Dynamics Simulations" (Poster)
(M. N. Jorabchi)

"Dispersion forces between guest molecules in clathrat hydrates: A DFT study for CO2 and CH4" (Poster)
(W. S. K. Polet)

"Computing Osmotic Second Virial Coeffients of Apolar Solutes in Aqueous Solutions" (Poster)
(E. Reiter)

"[N-Methyl-6-hydroxyquinolinium] [NTf2]: New Ionic Liquid with Internal Spectroscopic Probe" (Poster)
(S. Schmode)

"Dispersion forces in protic ionic liquids: Competition with hydrogen bonds" (Poster)
(P. Stange)

"Investigating Structure and Dynamics of Water in [C2mim][NTf2] and [C2mim][EtSO4] via NMR and molecular dynamics simulation studies" (Poster)
(M. Strauch)

14. - 16.05.2015 - 114. Hauptversammlung der Deutschen Bunsen-Gesellschaft für Physikalische Chemie e.V., Bochum
"Non-ideal mixing of hydrogen bonding in protic ionic liquids: low frequency spectroscopy, molecular dynamics simulations and lattice models"
(R. Ludwig)

"Structure and dynamics of water in the vicinity of ionic liquids: NMR and molecular dynamics simulation studies" (Poster)
(M. Strauch)

"Non-ideal mixing behaviour of protic ionic liquids sharing the same cation: density, viscosity and conductivity" (Poster)
(A.-M. Bonsa)

"Competition between complexation and ion pair formation in electrolyte solutions probed by IR spectroscopy and MD simulations" (Poster)
(A. Appelhagen)

"The anion-cation interaction in cholinium-based ionic liquids and their mixtures by means of infrared spectroscopy and DFT calculations" (Poster)
(A. Knorr)

"Controlling the subtle energy balance in protic ionic liquids: dispersion forces compete with hydrogen bonds" (Poster)
(K. Fumino)

"Computing osmotic second virial coeffients of apolar solutes in aqueous solutions" (Poster)
(E. Reiter)

"Hydrogen bonding in mixtures of protic ionic liquids studied by molecular dynamics simulations" (Poster)
(B. Golub)

"N-methyl-6-hydroxyquinolinium NTf2: new room temperature ionic liquid with internal spectroscopic probe" (Poster)
(S. Schmode)

"The importance of dispersion forces between the guest molecules for the overall stability of gas hydrates" (Poster)
(W. Polet)

"Mechanistic study of photocatalytic hydrogen generation with simple iron carbonyls as water reduction catalyst" (Poster)
(E. Barsch)

"Sorption and diffusion of alkane/alkene mixtures in ionic liquids studied by molecular dynamics simulations" (Poster)
(M. N. Jorabchi)

2014

20.06.2014 - Evaluation LLM, Rostock

29. - 31.05.2014 - 113. Hauptversammlung der Deutschen Bunsen-Gesellschaft für Physikalische Chemie e.V., Hamburg
"Photocatalytic Hydrogen Generation via Ordinary Iron Carbonyl Catalyts - An In-Situ FTIR Study"
(S. Fischer)

"Comparing Temperature Dependences of the Solubility of Alkanes and Alkenes in Imidazolium-Based Ionic Liquids" (Poster)
(M. N. Jorabchi)

"Computational Study of an Antifreeze Protein and its Interactions with Ice and Water" (Poster)
(S. Heckhausen)

"A Comparative Stopped-Flow Infrared-Study on Iron- and Ruthenium Catalysed Dehydrogenation of Formic Acid" (Poster)
(E. Barsch)

"Improving Electrolyte Systems by Adding Alkali Sulfides" (Poster)
(A.-M. Bonsa)

"Ion Pairing in Protic Ionic Liquids Probed by Far Infrared Spectroscopy: The Effects of Solvent Polarity and Temperature" (Poster)
(P. Stange)

"Structure and Dynamics of Methanol in Ionic Liquids: On the Validity of the Stokes-Einstein-Debye Relation" (Poster)
(E. Herold)

"Equilibria Between Solvent-Shared Ion Pairs and Contact Ion Pairs in Mixtures of Protic Ionic Liquids with Water" (Poster)
(B. Golub)

14. - 16.05.2014 - Symposium "Sustainable Hydrogen and Fuels – Status and Perspectives", Rostock
"Insights Into the Mechanism of Photocatalytic Water Reduction"
(R. Ludwig)

"The Dehydrogenation of Formic Acid - Mechanistic Studies on a Possible Hydrogen Carrier by Stopped-Flow IR-Spectroscopy"
(E. Barsch)

"Photocatalytic Hydrogen Production by a Self-Organizing Copper-Iron System" (Poster)
(S. Fischer)

2013

09. - 11.05.2013 - 112. Hauptversammlung der Deutschen Bunsen-Gesellschaft für Physikalische Chemie e.V., Karlsruhe
"A Millisecond Time-Resolved Infrared-Spectroscopy - Mechanistic Study on the Dehydrogenation of Formic Acid"
(E. Barsch)

"Dissecting the interaction energies in ionic liquids by means of low frequency spectroscopy and quantum chemical calculations"
(R. Ludwig)

"Ion speciation of protic ionic liquids in water: Transfer from contact to solvent-separated ion pairs"
(P. Stange)

"Photocatalytic Hydrogen Generation via Iron based Water Reduction Catalyst - An In situ FTIR study" (Poster)
(S. Fischer)

"Using Rapid-Scan IR-Techniques for Examining Water Reduction" (Poster)
(B. Hoffmann)

"Utilization of N-methyl-6-oxyquinolinium betaine for probing inter- and intramolecular interactions in Ionic Liquids" (Poster)
(S. Schmode)

"Interaction power of anions in ionic liquids converts solvent separated into contact ion pairs" (Poster)
(M. Strauch)

"Physicochemical Properties of Glyme-Lithium Salt Mixtures - Experiments and Simulations" (Poster)
(A.-M. Bonsa)

21. - 25.04.2013 - COIL 5, Vilamoura (Portugal)
"Utilization of N-Methyl-6-Oxyquinolinium betaine for probing inter- and intramolecular interactions in Ionic Liquids"
(S. Schmode)

"Ion speciation ofprotic ionic liquids in water: Transfer from contact to solvent-separated ion pairs"
(P- Stange)

"Dissecting the interaction energy between anions and cations in protic ionic liquids" (Poster)
(K. Fumino)

"Gibbs Adsorption Isotherms of Mixtures of Ionic Liquids with Organic Solvents" (Poster)
(A. Knorr)

27. - 28.03.2013 - Symposium "2nd Symposium on Thermophysical properties for Technical Thermodynamics", Rostock
"Physicochemical Properties of Glyme-Lithium Salt Mixtures - Experiments and Simulations"
(A.-M. Bonsa)

10. - 13.03.2013 - Workshop der Arbeitsgruppe, Bad Malente
Der Geist von Malente VI

06. - 09.03.2013 - JCF Frühjahrssymposium, Berlin
"Quinolinium based Dyes in Ionic Liquids – Synthesis, Theoretical Calculations and Photophysical Properties"
(S. Schmode)

2012

26. - 29.02.2012 - Workshop der Arbeitsgruppe, Bad Malente
Der Geist von Malente V

18. - 21.03.2012 - 14. JCF-Frühjahrssymposium, Rostock

20. - 21.03.2012 - PhD-Workshop, Sievershagen
SFB 652 - Graduiertenkolleg
"Molecular Dynamics Simulations: Examples from Water/Ice Interfaces and
the Coulomb System of Ionic Liquids"

(S. Heckhausen, D. Kerlé)

22. - 24.04.2012 - Zwischenkolloquium des SPP 1191, Warnemünde

25.04.2012 - Bunsenkolloquium zur Verabschiedung von Prof. Dr. A. Heintz

03. - 04.05.2012 – Evaluation LLM, IOW Warnemünde

03. - 06.05.2012 - Prague Protein’s Spring, Prag

17. - 19.05.2012 - 111. Hauptversammlung der Deutschen Bunsen-Gesellschaft für Physikalische Chemie e.V., Leipzig
Ionic Liquids
"Insights into the Absorption of Light Gases in Ionic Liquids
from Computer Simulations"

(D. Kerlé)
"Diffusion Coefficients of Imidazolium Based Ionic Liquids in Water, Methanol and Acetonitrile"
(E. Schmidt)
"Molecular Dynamic Simulations of the Growth of Hexagonal Ice in Supercooled Water"
(S. Heckhausen)
"Low-Frequency Modes of Protic Molten Salts and Ionic Liquids: Detecting and Quantifying Hydrogen Bonding"
(R. Ludwig)
"The Influence of Water on the Structure and Dynamics of Ionic Liquids" (Poster)
(D. Kerlé, Th. Köddermann, A. Appelhagen, D. Paschek, R. Ludwig)
"Photokatalytische Wasserreduktion - Aufklärung des Katalysezyklus mittels In-situ-FTIR-Spektroskopie" (Poster)
(S. Fischer, E. Barsch, F. Gärtner, R. Ludwig, M. Beller)

09. - 13.07.2012 - 18th International Symposium on Homogeneous Catalysis, Toulouse

22. - 26.07.2012 - Foundations of Molecular Modelling and Simulation, Mt. Hood OR, US of A
"Insights into the Absorption of Light Gases in Ionic Liquids by Classical Molecular Dynamics Simulations" (Poster)
(D. Kerlé, D. Paschek, R. Ludwig)

05. - 10.08.2012 - Euchem, The 4th Conference on Molten Salts And Ionic Liquids, Wales

12. - 17.08.2012 – Gordon Research Conference, Holderness NH, US of A
Water & Aqueous Solutions

05. - 09.09.2012 - EMLG/JMLG Annual Meeting, Eger, Hungary
Molecular association in fluid phases and at fluid interfaces

13. - 14.12.2012 - SPP Abschlusskolloquium, Bonn

2011

28. - 30.11.11 - DFG SPP 1191 annual meeting, Fürth

10.11.2011 - GdCh Kolloquium, Leipzig
Strukturmotive, Wasserstoffbrücken und anomalen Eigenschaften des Wassers (Ralf Ludwig)

03. - 07.10.2011 - 18. International Conference on Chemical Thermodynamics in Russland, Samara
Vorträge von D. Paschek und R. Ludwig

15. - 18.09.2011 - EMLG/JMLG Annual Meeting, Warschau
Diffusion coefficients of imidazolium based ionic liquids in water, methanol and acetonitrile. (Poster)
(E. Schmidt, A. Heintz, R. Ludwig)
The liquid-liquid phase transition of water: consequences for hydrophobic interaction and protein stability.
(D. Paschek)
Simulation of Ice and Cryoprotectant Solutions: Structure and Dynamics.
(S. Heckhausen)

12. - 16.09.2011 - International conference on "Correlations Effects in Radiation Fields", Rostock
Towards characterizing structural correlations in ionic liquids via vibrational spectroscopy. (Poster)
(Matthias Lütgens, Frank Friedriszik, Suzana Chatzipapadopoulos, Stefan Lochbrunner, Mahdi Taghikhani, Oliver Kühn, Christian Roth, Daniela Kerlé, Ralf Ludwig)

11. - 15.09.2011 - EuropaCat X, Glasgow
Kinetic Studies on Bi- and Monodentate Phosphite-Modified Hydroformylation by In Situ HP-FTIR Spectroscopy. (Poster)
(C. Kubis, D. Selent, R. Ludwig, A. Börner)

11. - 17.09.2011 - XIX. International Conference on "Horizons in Hydrogen Bond Research", Göttingen
Eingeladener Vortrag von R. Ludwig

04. - 07.07.2011 CECAM Workshop EPFL, Lausanne
Computer Simulation on the Solvation of Hydrophobic Particles and Small Biomolecules in Supercooled Water
(D. Paschek)

15. - 18.06.2011 - COIL 4, Washington (USA)
Solubility of Gases in Imidazolium-Based Ionic Liquids: Understanding by Molecular Dynamics Simulations.
(D. Kerlé, D. Paschek, R. Ludwig)
Understanding the Dissolution Power of Polyols by Ionic Liquids Using the Example of a Well-Defined Model Compund. (Poster)
(Z. Papanyan, C. Roth, D. Paschek, R. Ludwig)
Understanding Melting Point of Protic Ionic Liquids and Molten Salts at Molecular Level. (Poster)
(K. Fumino, R. Ludwig)
Influence of Hydrogen Bonding on the Properties of Ionic Liquids Shown for Melting Points, Viscosities and Enthalpies of Vaporization. (Poster)
(T. Peppel, K. Fumino, M. Geppert-Rybczynska, D. H. Zaitsau, J. K. Lehmann, S. P. Verevkin, M. Köckerling, R. Ludwig)

15. - 17.06.11 - Spectroscopy – Detective in Science, Rostock
In situ (HP)-FTIR-spectroscopy coupled with applied chemometrics for studying kinetic and mechanistic aspects of the rhodium catalyzed hydroformylation. (Poster)
(C. Kubis, D. Selent, R. Ludwig, A. Börner, M. Sawall, K. Neymeyr)

02. - 04.06.11 - 110. Hauptversammlung der Deutschen Bunsen-Gesellschaft für Physikalische Chemie e.V., Berlin
In situ FTIR investigations on a light driven water reduction system. (Poster)
(E. Barsch, F. Gärtner, R. Ludwig)
Water fluctuations in the hydration shell of a 13-mer DNA duplex. (Poster)
(K. Wittler, D. Paschek, R. Ludwig)
How structure and dynamics affect the intermolecular magnetic dipole-dipole cross-relaxation in Ionic Liquids. (Poster)
(D. Paschek, R. Giernoth, R. Ludwig)
Analysis of difference spectra and distinct features therein of aqueous fluoride salt and selected alkali halide solutions. (Poster)
(J. Riemenschneider, R. Ludwig)
Micro heterogeneities in ionic liquids studied by FTIR spectroscopy, DFT calculations and molecular dynamics simulations. (Poster)
(C. Roth, A. Appelhagen, R. Ludwig)
The role of defects on the properties of ionic liquids.
(C. Roth, T. Peppel, M. Köckerling, R. Ludwig)

20. - 23.03.11 - DFG SPP 1191 annual meeting, Potsdam
Effect of Ionicity on the Intermolecular Magnetic Dipole-dipole Cross-Relaxation in Ionic Liquids.
(D. Paschek)
The influence of hydrogen bonding on the physical properties of ionic liquids.
(R. Ludwig)
Solubility of gases in imidazolium-based ionic-liquids: Understanding by molecular dynamics simulations. (Poster)
(D. Kerlé)
Understanding the dissolution of polyols by ionic liquids using the example of a well defined model compound. (Poster)
(C. Roth)

20. - 23.03.11 - Research group workshop, Bad Malente
Der Geist von Malente IV
Contributions by all members and invited speakers

2010

30.09.-01.10.10 - SFB 652 Workshop 2010, Plau am See
Structures in Fluid Coulomb Systems using the Example of Ionic Liquids.
(D. Kerlé und C. Roth)

05. - 09.09.10 - EMLG/JMLG Annual Meeting on Complex Liquids, Lemberg
Diffusion of imidazolium based ionic liquids in different polar solvents.
(E. Schmidt, R. Ludwig)
Understanding the solubility of gases in ionic liquids from molecular simulations.
(D. Kerlé, D. Paschek, R. Ludwig)
An equilibrium study of urea denaturation of trp-cage miniprotein.
(Dietmar Paschek)
Effects of cryoprotectants on the hydrophobic hydration of small apolar solutes in aqueous solutions. (Poster)
(S. Heckhausen, J. Holzmann, D. Paschek and R. Ludwig)
Dynamics of water in aqueous salt solutions. (Poster)
(J. Holzmann, D. Paschek and R. Ludwig)

4. – 9. 07.2010 - 17th International Symposium on Homogeneous Catalysis, Posen
In situ HP-FTIR Spectroscopic Studies on Bi- and Monodentate Phosphite-Modified Hydroformylation.
(C. Kubis, D. Selent, R. Ludwig, A. Börner)

13. - 15.05.10 - 109. Hauptversammlung der Deutschen Bunsen-Gesellschaft für Physikalische Chemie e.V., Bielefeld
Electrodynamics in DNA/water systems studied by molecular dynamics simulations. (Poster)
(K. Wittler, A. Appelhagen, R. Ludwig)
Predicting enthalpies of vaporization of imidazolium-based ionic liquids from far infrared spectra. (Poster)
(A. Wulf, K. Fumino, R. Ludwig, S.P. Verevkin, A. Heintz)
Dynamic heterogeneities in aqueous salt solutions. (Poster)
(J. Holzmann, A. Appelhagen, R. Ludwig)

In situ FTIR Measurements and Applied Chemometrics for Studying Kinetic and Mechanistic Aspects of the Rhodium Catalysed Hydroformylation.
(C. Kubis, D. Selent, R. Ludwig, A. Börner, M. Sawall, K. Neymeyr, R. Franke, D. Hess)

22. - 23.03.10 - International Workshop: Molecular Modeling and Engineering Methods for Simulation of Industrial Fluid Properties, Würzburg
Computing the solubility of CO2, CH4, N2, and O2 in imidazolium-based ionic liquids.
(D. Kerlé)

21. - 25.03.10 - ACS Spring 2010 National Meeting, San Francisco:
Cation-anion interactions in protic ionic liquids studied by far infrared spectroscopy. (Poster)
(K. Fumino, A. Wulf, R. Ludwig)
Study of the hydrogen bond strength in neat imidazolium ionic liquids by far infrared spectroscopy. (Poster)
(A. Wulf, K. Fumino, R. Ludwig)
Spectroscopic evidence for an enhanced anion-cation interaction due to hydrogen bonding in ionic liquids.
(A. Wulf, K. Fumino, R. Ludwig)

14. - 19.03.10 - EUCHEM Conference on Molten Salts and Ionic Liquids 2010, Bamberg
Combined THz, FIR and Raman spectroscopy studies of imidazolium-based ionic liquids covering the frequency range between 2 and 300 cm-1. (Poster)
(A. Wulf)
On the Temperature Dependence of the Solubility of CO2, CH4, N2 and O2 in Imidazolium-based Ionic Liquids. (Poster)
(D. Kerlé, D. Paschek, R. Ludwig)
Direct observation of hydrogen-bond stretching frequencies in pure imidazolium-based Ionic Liquids. (Poster)
(R. Ludwig)
Predicting enthalpies of vaporization of imidazolium-based Ionic Liquids from far infrared spectra.
(R. Ludwig)

11. - 12.03.10 - DFG SPP 1191 annual meeting, Bamberg
Vortrag
(R. Ludwig)

10. - 12.03.10 - 43. Jahrestreffen Deutscher Katalytiker, Weimar
Kinetic and Mechanistic Studies on Rhodium Catalysed Phosphite Modified Hydroformylation. (Poster)
(C. Kubis, D. Selent, R. Ludwig, M. Sawall, K. Neymeyr, A. Börner, R. Franke, D. Hess)

14. - 17.02.10 - Research group workshop, Bad Malente
Der Geist von Malente III
Contributions by all members and invited speakers.

07.01.10 - SFB 652-Kolloquium, Rostock
Untersuchung Ionische Flüssigkeiten mittels Spektroskopie und molekulardynamischer Simulation.
(C. Roth und D. Kerlé)

2009

01. - 04.12.09 - DFG SPP 1191 Winterschool, Rostock
Hydrogen bonding in Ionic Liquids: What can we learn from vibrational spectroscopy.
(R. Ludwig)
Description of low soluble gases in Ionic Liquids by COSMO-RS and MD.
(A. Buchele, D. Kerlé, W. Arlt, R. Ludwig)
Solubility of CO2 in Imidazolium-based Ionic Liquids probed by Molecular Dynamic Simulation. (Poster)
(D. Kerlé, D. Paschek, R. Ludwig)

19.11.09 - ICP, Stuttgart
Ionic Liquids: Calculating and simulationg the unusal properties of a new material.
(R. Ludwig)

14.11.09 - Samstagsuniversität an der Mathematisch-Naturwissenschaftlichen Fakultät, Rostock
Ionische Flüssigkeiten - Innovation für Chemie und Technik.
(R. Ludwig)

06.11.09 - DFG SPP 1191 annual meeting, Potsdam
Intermolecular interactions in Ionic Liquids and mixtures with molecular solvents probed by Far FTIR and FT-Raman spectroscopy.
(R. Ludwig)
The importance of hydrogen bonds for the variation of cation/anion interaction strength in Ionic Liquids. (Poster)
(A. Wulf, K. Fumino, and R. Ludwig)
Solubility of CO2 in Imidazolium-based Ionic Liquids probed by Molecular Dynamic Simulation. (Poster)
(D. Kerlé, Dietmar Paschek, and Ralf Ludwig)

06.10.2009 - Thermodynamik-Kolloquium und Ingenieurdaten, Berlin
Diffusionsmessungen Ionischer Flüssigkeiten in wässrigen und methanolischen Lösungen, Experimentelle und molekulardynamische Untersuchungen.
(E. Schmidt*, J.K. Lehmann, A. Heintz, R. Ludwig)

09.09.2009 - EMLG/JMLG 2009, Salzburg
Dynamic heterogeneities in supercooled aqueous salt solutions.
(J. Holzmann)
Frozen aqueous salt solutions probed by FTIR-ATR spectroscopy.
(J. Riemenschneider)
Solubility of carbon dioxide in imidazolium-based ionic liquids by molecular dynamics simulations.
(D. Kerlé)
Dynamics of Water Network and Ions Near DNA by Studying MD-Simulations. (Poster)
(K. Wittler)
Diffusion coefficients of ionic liquids in water and methanol. (Poster)
(E. Schmidt)

16.07.2009 - Workshop: Thermodynamik Ionischer Flüssigkeiten, Bremen
Thermodynamische Eigenschaften Ionischer Flüssigkeiten mittels Molekulardynamischer Simulation.
(D. Kerlé)

19.06.2009 - Bunsenkolloquium “Water in Biology, Chemistry and Physics: Results and Perspectives”, Dortmund
Effects of pressure, salt and cryoprotectants on the structure and dynamics of water.
(R. Ludwig)

31.05.2009 - COIL 3 - Pre-symposium on Physical and Electronical Properties and Application of Ionic Liquids, Cairns (Australia)
The importance of hydrogen bonding in aprotic and protic ionic liquids for the understanding of physicochemical properties.
(A. Wulf)
The Importance of Hydrogen Bonding in Ionic Liquids for the Development of Force Fields in Molecular Dynamics Simulations.
(R. Ludwig)

31.05. - 04.06.2009 - COIL 3, Cairns (Australia)
Hydrogen bonding in protic ionic liquids and similarities to water. (Poster)
(A. Wulf)
Proton transfer in protic ionic liquids. (Poster)
(K. Fumino)
The potential role of hydrogen bonding in ionic liquids. (Poster)
(R. Ludwig)

21. - 23.05.2009 - 108. Hauptversammlung der Deutschen Bunsen-Gesellschaft für Physikalische Chemie e.V., Köln
Conductivity and „ion-pair formation“ in ionic liquids probed by molecular dynamics simulations.
(T. Köddermann, Fraunhofer SCAI, Sankt Augustin/D, R. Ludwig)
Supercooled salt solutions probed by FTIR-ATR spectroscopy. (Poster)
(J. Riemenschneider, R. Ludwig)
Networks and aggregates of imidazolium based ionic liquids in polar organic solvents probed by FTIR and Raman spectroscopy. (Poster)
(C. Roth, N. Jobst, R. Ludwig)
Cryoprotection: the influence of ethylene glycol on the structure and dynamics of water by means of MD simulation. (Poster)
(J. Holzmann, R. Ludwig)
Diffusion coefficients of ionic liquids in water and methanol. (Poster)
(E. Schmidt, R. Ludwig, A. Heintz)

20.05.2009 - GDCh-Kolloquium, Ortsverband Marl-Recklinghausen
Ionische Flüssigkeiten: Ungewöhnliche Eigenschaften eines neuen Materials.
(R. Ludwig)

19. - 23.04.2009 - OPERANDO III, Rostock-Warnemünde
In-Situ IR Investigations on the Equilibria of Ligand Modified Rhodium Catalyst Species. (Poster)
(E. Barsch*, R. Ludwig, D. Selent, A. Börner, K-D. Wiese, D. Hess)
Automated Sampling Device for Kinetic Analysis of High Pressure Reactions: An Example from Rhodium Catalyzed Hydroformylation. (Poster)
(C. Kubis*, D. Selent, H-J. Stiller, A. Börner, R. Ludwig, K. Thurow)
Kinetic Investigations on Rhodium Catalyzed Ligand Modified Hydroformylation. (Poster)
(C. Kubis*, R. Ludwig, D. Selent, A. Börner, K-D. Wiese, D. Hess)

06. - 08.04.2009 - CECAM, Dublin
The importance of hydrogen bonding in ionic liquids.
(R. Ludwig)

08. - 11.03.09 - Research group workshop, Bad Malente
Der Geist von Malente - reloaded
Contributions by all members and invited speakers

04. - 06.03.2009 - SPP 1191 Meeting, Bamberg
The influence of water on the structure and dynamics of ionic liquids.
(R. Ludwig, P.Schulz)
Hydrogen bonding in protic ionic liquids and reminiscence of water.
(A. Wulf, H. Weingärtner, B. Kirchner)

2008

23. - 25.11.2008 - International Bunsen Discussion Meeting, Clausthal
Ionic Liquids: From basic understanding to possible applications.
(R. Ludwig)

30.09.-01.10.2008 - Workshop, University Leipzig "Hydrogen bonds in Ionic Liquids
Detecting hydrogen bonds in ionic liquids by far infrared spectroscopy.
(A. Wulf)
How hydrogen bonds influence the structure and dynamics of ionic liquids.
(R. Ludwig)

15. - 17.09.2008 - Conference: Ion Specific Phenomena in Physics, Chemistry and Biology, München
The influence of ions on the structure and dynamics of water.
(Ralf Ludwig)

08. - 11.09.2008 - 15th International Conference for the Properties of Water and Steam, Berlin
Solubility of gases in aqueous salt solutions: A MD simulation study on the influence of different salts.
(J. Holzmann, D. Paschek, R. Ludwig)

31.08. - 04.09.2008 - EMLG/JMLG 2008 Annual Meeting, Understanding solvation from Liquid to supercritical conditions, Lisboa, Portugal
Understanding physicochemical properties of Ionic Liquids by means of experiments and simulations.
(R. Ludwig)
The influence of different salts for the solubility of gases in aqueous solutions probed by MD simulations. (Poster)
(Jörg Holzmann, Dietmar Paschek, R. Ludwig)
Transport properties of Imidazolium-based Ionic Liquids and their binary mixtures with methanol probed by molecular dynamics simulations. (Poster)
(Niels Jobst, Thorsten Köddermann, R. Ludwig)

10.07.2008 - GDCh-Kolloquium, Universität Bielefeld
Ungewöhnlichen Eigenschaften von Wasser und Ionischen Flüssigkeiten.
(R. Ludwig)

08. - 09.07.2008 - Workshop DFG-Forschergruppe FOR 436
Polymorphism, Dynamics and Function of water at Molecular Interfaces. Do Simple Ions Infleunce the Water Structure beyond the First Hydration Shell? Evidence from MD simulations and FTIR-ATR Spectra.
(R. Ludwig)

19.06.2008 - Güstrower Umweltkolloquium 2008
Wasser: Anomalien und Rätsel.
(R. Ludwig)

26.05.2008 - GDCh-Kolloquium, Universität Bremen
Anomalien und Rätsel: Die ungewöhnlichen Eigenschaften von Wasser und Ionischen Flüssigkeiten.
(R. Ludwig)

01. - 03.05.2008 - 107. Hauptversammlung der Deutschen Bunsen-Gesellschaft für Physikalische Chemie e.V., Saarbrücken
Structure and dynamics of aqueous salt solutions: An MD simulation study on the influence of different salts.
(J. Holzmann, R. Ludwig, D. Paschek)
Low frequency vibrational spectroscopy – A direct probe for the cation-anion interaction in imidazolium-based ionic liquids.
(A. Wulf, K. Fuminio, R. Ludwig)
Salt effects on the structure of water in aqueous solution probed by ATR-spectroscopy. (Poster)
(J. Riemenschneider, R. Ludwig, D. Paschek)

24. - 27.02.08 - Research group workshop, Bad Malente
Der Geist von Malente
Beiträge von allen Mitarbeitern und eingeladenen Gästen

31.01.2008 - GDCh-Kolloquium, Universität Hamburg
Anomalien und Rätsel: Die ungewöhnlichen Eigenschaften von Wasser und Ionischen Flüssigkeiten.
(Ralf Ludwig)

2007

05. - 10.08.2007 - COIL 2, Yokohama (Japan)
Poster und Vorträge von A. Wulf, T. Köddermann, K. Fumino und R. Ludwig