RESOLV 2012-2018: SCIENTISTS

PRINCIPAL INVESTIGATORS

AREA(S) PERSON RESEARCH FIELDS

A, C Accurate electronic structure theory, coupled Prof. Dr. Christof Hättig cluster response theory, weak / van der Waals / Ruhr-Universität Bochum hydrogen-bonding interactions for large systems,

Theoretical external electromagnetic fields

IR laser spectroscopy, molecular aggregates, A, B, C Prof. Dr. Martina Havenith THz absorption spectroscopy, solvation Ruhr-Universität Bochum dynamics, laser development, Scattering

Physical Chemistry II Nearfield IR- and Raman- microscopy, ultracold chemistry

Protein thermodynamics in aqueous co-solvents B Prof. Dr. Christian Herrmann and ionic liquids, enzymatic reactions, protein Ruhr-Universität Bochum interactions, microcalorimetry, CD spectroscopy;

Physical Chemistry I kinetics, stopped flow, T-jump

Development and mechanistic investigation of A Prof. Dr. Benjamin List new methods of chemical synthesis, asymmetric Max-Planck-Institut für organocatalysis and anion mediated asymmetric Kohlenforschung Mülheim an der Ruhr catalysis

Paramagnetic Systems (radicals, triplet states, Prof. Dr. Dr. h.c. Wolfgang Lubitz metal complexes), : A, B Max-Planck-Institut für Chemische wateroxidase, , ribonucleotide Energiekonversion Mühlheim an der reductase; primary processes of ; Ruhr magnetic resonance spectroscopy; quantum

chemical calculations

A, B, C Ab initio (Car-Parrinello) molecular dynamics, Prof. Dr. Dominik Marx theoretical spectroscopy, HPC, solvation, liquids, Ruhr-Universität Bochum water, hydrogen-bonding, interfaces, charge

Theoretical Chemistry transport, proton transfer, aggregation

Surface science, surface reactions, non- adiabatic reactions, hydrogen bonding, kinetics A, C Prof. Dr. Karina Morgenstern of nanostructures, water, azobenzene Ruhr-Universität Bochum derivatives, metallic surfaces, insulating layers,

Physical Chemistry I real space imaging, electron transfer excitation, femtosecond excitation AREA(S) PERSON RESEARCH FIELDS

C Heterogeneous catalysis, catalyst preparation, Prof. Dr. Martin Muhler elucidation of elementary steps, catalysts Ruhr-Universität Bochum in gas vs liquid phase, advanced spectroscopy Technical Chemistry coupled to transient kinetic methods

Product design from lab to industrial scale, A, C Prof. Dr.-Ing. Marcus Petermann separation techniques using supercritical fluids. Ruhr-Universität Bochum thermo- and fluid dynamic data, Particle Technology sorption/desorption kinetics of gas mixtures at high pressure

Physical organic chemistry, reactive intermediates, chemistry of open shell Prof. Dr. Wolfram Sander A, B molecules, radicals, radicals, carbenes, Ruhr-Universität Bochum synthesis and spectroscopy of peptides, matrix

Organic Chemistry II isolation spectroscopy, time resolved spectroscopy

Fundamental studies of crystallization processes, catalysis, synthesis of catalyst C Prof. Dr. Ferdi Schüth materials, high throughput experimentation in Max-Planck-Institut für catalysis, hydrogen storage materials, zeolites Kohlenforschung Mülheim an der Ruhr and ordered mesoporous materials, biomass transformation

Analytical chemistry, (micro-) electrochemistry, Prof. Dr. Wolfgang Schuhmann A, C scanning electrochemical microscopy (SECM), Ruhr-Universität Bochum localized corrosion, fuel cell catalysts, biofuel cells, Analytical Chemistry photoelectrochemistry

Classical and ab initio computer simulation of chemical reactivity and transport in electrolytes, C Prof. Dr. Eckhard Spohr near interfaces, in membranes, disordered Universität Duisburg-Essen media and in heterogeneous materials for Theoretical Chemistry energy research, development of reactive force fields for use in aqueous system simulations AREA(S) PERSON RESEARCH FIELDS

C Prof. Dr. Martin Stratmann Electrochemistry, corrosion science, buried Max-Planck-Institut für Eisenforschung interfaces, spectroscopy of electrified interfaces, GmbH Düsseldorf surface science

Prof. Dr. Walter Thiel Quantum chemistry and computational B Max-Planck-Institut für chemistry for large molecular systems, QM/MM Kohlenforschung Mülheim an der Ruhr techniques, spectroscopy, dynamics, reactivity, catalytic reactions and enzymatic processes

Synchrotron radiation, interface scattering, Prof. Dr. Metin Tolan C small-angle X-ray scattering, X-ray Technische Universität Dortmund spectroscopy, coherent X-ray scattering, soft

Experimental Physics I & DELTA condensed matter, biointerfaces, water networks

Prof. Dr.-Ing. Eckhard Weidner Supercritical fluids, phase equilibria/mass and A, C Ruhr-Universität Bochum heat transfer in multiphase systems, controlled Verfahrenstechnische release systems, micro- and nanoparticles, high

Transportprozesse pressure technology

X-ray and neutron scattering, calorimetry, CD, FT-IR, fluorescence spectroscopy, atomic force and fluorescence microscopy; structure, B, C Prof. Dr. Roland Winter dynamics and function of model biomembranes, Technische Universität Dortmund protein-lipid interactions; protein folding,

Physical Chemistry I misfolding and amyloidogenesis; co-solvent and confinement effects on protein stability and folding; high pressure effects in molecular

PARTICIPATING SCIENTISTS

AREA(S) PERSON RESEARCH FIELDS

Dr. Ulf-Peter Apfel B Activation and formation of biologically and Ruhr-Universität Bochum industrially relevant small molecules

Inorganic Chemistry

Prof. Dr. Roland Boese Universität Duisburg- Synthesis, Cocrystallization Essen Inorganic Chemistry

EPR spectroscopy, site-directed spin labeling, Prof. Dr. Enrica Double Electron-Electron Resonance, dynamic B Bordignon nuclear polarization, membrane protein Ruhr-Universität Bochum structure-dynamics-function relationship, water

EPR Spectroscopy dynamics, Bcl-2 proteins, apoptosis, ABC transporters, molecular biology

Prof. Dr. Uwe Electron and ion solvation dynamics at metal- C Bovensiepen molecule interfaces; Methods: Femtosecond Universität Essen- time- and angle-resolved non-linear Duisburg photoelectron spectroscopy

Experimental Physics

Supramolecular chemistry in solution, self- A Prof. Dr. Guido Clever assembled coordination cages, confined Technische Universität molecular environments, host-guest chemistry, Dortmund stimuli responsive systems, modified DNA nano

Inorganic Chemistry II structures; methods: NMR, CD spectroscopy, HRMS, isothermal titration calorimetry (ITC)

A Prof. Dr. Viktoria Organometallic Chemistry: Tailoring structures Däschlein-Gessner and properties of carbanionic reagents for Ruhr-Universität Bochum selective synthetic applications

Inorganic Chemistry II

Dr. Andreas Erbe Max-Planck Institut für Interface Spectroscopy Eisenforschung

A Prof. Dr. Lukas J. Development of catalytic methods, C-C, C-H Gooßen and CO2 activation, fluoroalkylations, Ruhr-Universität Bochum separations in supercritical fluids

Organic Chemistry I AREA(S) PERSON RESEARCH FIELDS

Solvation effects on redox proteins; solvation shell dynamics on proton transfer within Prof. Dr. Thomas Happe B ; Methods: Photocatalysis, Ruhr-Universität Bochum technology, overexpression, Photobiotechnology purification and protein crystallography of anaerobic sensitive proteins

Dr. Matthias Heyden Influence of solvation on dynamics and stability Max-Planck-Institut für of proteins Kohlenforschung

A Prof. Dr. Stefan Huber Organocatalysis and supramolecular chemistry, Ruhr-Universität Bochum multidentate halogen bonding in solution

Organic Chemistry I

B Jun.-Prof. Dr. Müge Electron paramagnetic resonance Kasanmascheff spectroscopy, hyperfine spectroscopy, amino Technische Universität acid radicals, metalloproteins, proton-coupled Dortmund electron transfer reactions, ribonucleotide

Physical Chemistry reductases, unnatural amino acid incorporation

Prof. Dr. Stefan Kast Liquid state theory in combination with A, B Technische Universität molecular dynamics and quantum chemistry; Dortmund solvation effects on structure, spectra and Theoretical Physical thermodynamics in chemical and biological

Chemistry systems

Development of NMR spectroscopic methods Prof. Dr. Rasmus Linser B (proton detection in solid-state NMR, fast Technische Universität Magic-Angle Spinning), protein dynamics, Dortmund protein-ligand and protein solvent interactions

Physical Chemistry II using NMR spectroscopy

Priv.-Doz. Dr. Frank Marlow Photonic crystalls, self-assembly and self- Max-Planck-Institut für organization, directed self-assembly Kohlenforschung

A Dr. Christian Merten Intermolecular interactions and chiral induction Ruhr-Universität Bochum studied by vibrational CD

Organic Chemistry II AREA(S) PERSON RESEARCH FIELDS

Synthesis of bioconjugates of metal complexes Prof. Dr. Nils Metzler- with peptides and peptide nucleic acid Nolte B oligomers. Tailor-made peptides of increasing Ruhr-Universität Bochum complexity, in particular polypeptide/metal

Bioinorganic Chemistry I complexes

Synthesis of temperature-labile & “RNA thermometers”; and characterization of their B Prof. Dr. Franz unusual properties in terms of hydration effects; Narberhaus Methods: small to medium RNA synthesis, Ruhr-Universität Bochum rational design of point mutations, enzymatic

Microbial Biology and chemical probing of RNA structures, RNA- RNA and RNA-protein interactions, bioinformatic prediction of RNA structures

Theoretical Method Development, ab initio Prof. Dr. Frank Neese wavefunctions, experimental and theoretical A Max-Planck-Institut für spectroscopy (X-Ray, EPR, MCD, absorption, Chemische resonance Raman), open shell transition Energiekonversion, metals, reaction mechanisms, magnetism, Mülheim an der Ruhr ORCA, bioinorganic chemistry

Prof. Dr. Jörg C Neugebauer Max-Planck-Institut für Computational Materials Design Eisenforschung GmbH Düsseldorf

Time-resolved spectroscopy, ultrafast A Prof. Dr. Patrick photochemistry, transient absorption, quantum Nürnberger control of photochemical reactions, real-time Ruhr-Universität Bochum observation of excited-state processes, transfer

Physical Chemistry II phenomena, solvation effects, reaction intermediates

Development of nonlinear vibrational spectroscopic methods (ultrafast continuum IR and 2D IR spectroscopy, heterodyned SFG A, B Prof. Dr. Poul Petersen spectroscopy, chiral SFG spectroscopy, Ruhr-Universität Bochum interferometric 2D SFG spectroscopy); Time-resolved Vibrational vibrational spectroscopy of water in solvation

Spectroscopy shells, at surfaces, and in biological settings, strongly hydrogen-bonded complexes, proton transfer reactions, and surface-bound molecular catalysts AREA(S) PERSON RESEARCH FIELDS

B Prof. Dr. Nicolas Design and synthesis of solvated matrices for Plumeré integration of redox-active molecules toward Ruhr-Universität Bochum applications in catalysis, energy conversion and Molecular Nanostructures sensing

Accurate thermophysical property A Prof. Dr.-Ing. Markus measurements and investigation of the phase Richter behavior (gas-to-liquid) taking account of Ruhr-Universität Bochum surface phenomena (adsorption, capillary

Thermodynamics condensation, bulk condensation)

Solvent channels in control of catalytic center B Prof. Dr. Matthias solvation in water-splitting Photosystem 2; Rögner Methods: Photoelectrochemistry, quantitative Ruhr-Universität Bochum mass spectrometry, SPR, purification of intrinsic

Biochemistry of Plants membrane protein complexes, fluorescence- & CD-spectroscopy

Dr. Michael Rohwerder C Max-Planck-Institut für Kelvin probe, electrochemistry in the “dry”, Eisenforschung GmbH structure of electrochemical double layer Düsseldorf

C Prof. Dr. Beatriz Roldán Cuenya Surface physics and catalysis Ruhr-Universität Bochum Faculty of Physic

B Dr. Michael Römelt Molecular simulation of molecules with complex Ruhr-Universität Bochum electronic structures, Density Matrix

Theoretical Chemistry Renormalization Group

C Prof. Dr. Axel Biointerfaces, biofouling, advanced surface Rosenhahn chemistry, in-situ interface analysis, X-ray Ruhr-Universität Bochum imaging, microfluidic adhesion experiments, 3D

Analytical Chemistry tracking

Prof. Dr. Gabriele A Sadowski Thermodynamic modeling of complex systems, Technische Universität biothermodynamics, salt influence in biological Dortmund systems, ion pairing, solvent influence on Biochemical and chemical and biological reactions

Chemical Engineering AREA(S) PERSON RESEARCH FIELDS

Prof. Dr. Elsa Sanchez Multiscale methods, Quantum Mechanics and A, B Garcia Molecular Dynamics simulations, free energy University Duisburg- calculations. Biomolecules, catalysis and Essen, Computational reactive intermediates

B Prof. Dr. Clara Saraceno Ruhr-Universität Bochum High-power ultrafast solid-state lasers, Photonics and Ultrafast nonlinear optics, high-power terahertz sources

Laser Science

B Prof. Dr. Lars Schäfer Molecular simulation, biological Ruhr-Universität Bochum macromolecules, molecular dynamics, force

Theoretical Chemistry fields, multiscale modeling

Dr. Jennifer Strunk Ruhr-Universität Bochum Catalysis Technical Chemistry

C Prof. Dr. Rochus Charge transfer at electrolyte/electrode Schmid interfaces; Methods: Coupling of periodic real- Ruhr-Universität Bochum space DFT code to the Poisson-Boltzmann

CMC approach

B Prof. Dr. Frank Schulz Bioorganic chemistry, natural products Ruhr-Universität Bochum chemistry, enzymology Organic Chemistry I

- Prof. Dr. Katrin Sommer Didactics and chemical education, model Ruhr-Universität Bochum experiments

Didaktik der Chemie

C Prof. Dr. Kristina Tschulik Nano-Electrocatalysis, Magneto- Ruhr-Universität Bochum Electrochemistry, Electrodeposition Lehrstuhl für Analytische

Chemie II AREA(S) PERSON RESEARCH FIELDS

Prof. Dr. Jörg Tatzelt B Prion and prion-like mechanisms, Ruhr-Universität Bochum neurodegeneration, intrinsically disordered Biochemistry of proteins, subcellular targeting, transport across Neurodegenerative membranes

Diseases

Priv.-Doz. Harun Tüysüz A Design and development of nanostructured Max-Planck-Institut für multifunctional materials for catalytic Kohlenforschung applications Mülheim an der Ruhr

Prof. Dr. Hermann Weingärtner Protein Solvation Ruhr-Universität Bochum Physical Chemistry II

B Prof. Dr. Konstanze Protein misfolding and aggregation, Winklhofer proteostasis, ubiquitination, life cell imaging, Ruhr-Universität Bochum structured illumination (SIM) super-resolution

Molecular Cell Biology imaging