Archiv - Institutsseminar
Tuesday, September 17, 2024, 9:30 (Zoom)
Thursday, July 18, 2024, 13:00 (BMS4001)
Friday, July 12, 2024, 10:00 (BMS/4001)
Thursday, July 4, 2024, 13:00 (BMS/4001)
Thursday, June 27, 2024, 13:00 (BMS/4001)
Thursday, May 2, 2024, 13:00 (BMS/4001)
March 13 and 14, 2024 (BMS/4001)
Thursday, February 8, 2024, 16:00 (BMS/4001)
Thursday, February 8, 2024, 14:30 (BMS/4001)
Institutsseminar WS 2018/19
Datum | Sprecher | Titel | Zeit | Ort |
13.12.2018 | Renat Nazmutdinov | Electron transfer reactions inside carbon nanotubes: some insights from molecular modeling | 14:15 h | O25/346 |
12.12.2018 | Siegbert Schmid University of Sydney | Adventures in the Solid State - Battery Materials and other Challenges | 14:15 h | N25/H8 |
21.11.2018 | Miftahussurur Hamidi Putra University of Stuttgart | Diamond Surfaces Interacting with DNA Units: a Quantum Mechanical Study | 15:15 h | O25/346 |
15.11.2018 | Maedeh Zahedifar University of Duisburg-Essen | Role of electron-phonon scattering in the relaxation of hot carriers at surfaces | 14:15 h | O25/346 |
25.10.2018 | Axel Groß Ulm University | Chemistry, Artifical Intelligence and Machine Learning | 14:15 h | O25/346 |
18.10.2018 | Nils Hausner Ulm University | Modelling of the reduction of carbon dioxide in IL(s) | 14:15 h | O25/346 |
11.10.2018 | Mohsen Sotoudeh | From electron transfer to chemical energy storage: first-principles studies of correlated processes | 14:15 h | O25/648 (if occupied 306) |
19.07.2018 | Marcel Rost Leiden University | Correlation of Surface Site Formation to Nano-Island Growth in the Electrochemical Roughening of Pt(111) | 14:15 h | O25/346 |
05.07.2018 | Zhengda He University of Science and Technology of China | Adsorption of Hydrogen and Hydrogen Evolution Reaction on Pt(110) | 14:15 h | O25/346 |
07.06.2018 | David Mahlberg Ulm University | Metastability of surface alloys | 14:15 h | O25/346 |
24.05.2018 | Sung Sakong Ulm University | Thermodynamic description of charge polarization and solvation at electrochemical interfaces | 14:15 h | O25/346 |
Institutsseminar WS 2017/18
Datum | Sprecher | Titel | Zeit | Ort |
01.02.2018 | Katrin Forster-Tonigold HIU | Modeling the electrode | ionic liquid interface | 13:15 h | O25/648 |
25.01.2018 | Mohnish Pandey Technical University of Denmark | Computational Screening of Light Absorbers for Tandem Photoelectrochemical (PEC) Devices and Hydrogen Evolution | 14:15 h | O25/648 |
18.01.2018 | Xiaohang Lin Shandong University | The influence of Si phase nucleation and growth by Fe containing intermetallic compound clusters in liquid state Al-Si alloy | 14:15 h | O25/648 |
11.01.2018 | Holger Euchner HIU | Hard carbon as anode material for sodium ion batteries - an atomistic perspective | 14:15 h | O25/648 |
14.12.2017 | Theodoros Tsatsoulis MPI Stuttgart Ulm University | Towards efficient coupled-cluster theories for periodic surfaces | 14:15 h | O25/648 |
16.11.2017 | Katharina Helmbrecht Malte Matthias Smits Daniel Stottmeister Ulm University | Diffusion on metal electrodes | 14:15 h | O25/648 |
13.11.2017 | Axel Groß Ulm University | Chemie und Materialien im Computer - Chancen und Herausforderungen | 18:30h | O25/H1 |
26.10.2017 | Megan Jackson MIT | Inner-Sphere Electron Transfer at Graphite-Conjugated Surface Sites | 14:15 h | O25/648 |
19.10.2017 | Aleksej Goduljan Ulm University | On the double layer in gold nanotubes | 14:15 h | O25/648 |
05.10.2017 | Nils Hausner Ulm University | Properties of ionic liquids | 14:15 h | O25/648 |
Institutsseminar SS 2017
Datum | Sprecher | Titel | Zeit | Ort |
20.04.2017 | Diverse Ulm University/HIU | Joint Seminar Group Behm, Group Groß and Group Güttel | 08:30 h | HIU/Seminarroom |
04.05.2017 | Ralf Tonner University of Marburg | Organic functionalization of semiconductors - concepts from computational chemistry | 14:15 h | O25/346 |
11.05.2017 | Diverse Ulm University/HIU | Joint Seminar Group Behm, Group Groß and Group Güttel | 08:30 h | HIU/Seminarroom |
22.06.2017 | Michael Eikerling Simon Fraser University | Theory and Modeling of Nanoscale Phenomena in Fuel Cell Electrocatalysis | 14:15 h | O25/346 |
06.07.2017 | Felix Studt IKFT | TBA | 14:15 h | O25/346 |
Institutsseminar WS 2016/17
Datum | Sprecher | Titel | Zeit | Ort |
24.11.2016 | Renat Nazmutdinov Kazan State University | Model estimations of electronic transmission coefficient for redox processes: state-of-the art and some challenges | 14:15 h | O25/648 |
01.12.2016 | Matthias Bickelhaupt VU University Amsterdam | Towards rational design of chemical reactions | 17:15 h | O25/H1 |
08.12.2016 | Mehrtoos Eslamibidgoli Simon Fraser University | Electrochemical Conditions around Pt Nanodeposits in Polymer Electrolyte Membranes and Their Impact on Ionomer Decomposition | 12:15 h | O25/306 |
15.12.2016 | Artem Sergeev Lomonosov Moscow State University | Multiscale study of Li-O2 battery: MD simulation of reaction layer and reduction kinetics | 14:15 h | O25/648 |
12.01.2017 | Anik Sen Ulm University | The Effect of Anchoring Groups on immobilized Ruthenium (II) Bipyridine Complexes for Dye Sensitised Solar Cells: A Theoretical Study | 14:15 h | O25/648 |
19.01.2017 | Sung Sakong Ulm University | Electrode potential within density functional theory | 14:15 h | O25/648 |
24.01.2017 | Geert-Jan Kroes Leiden University | Towards a chemically accurate description of reactions of molecules with transition metal surfaces | 14:15 h | O25/648 |
26.01.2017 | Mie Andersen Technical University Munich | Scaling-relation based analysis of bifunctional catalysis | 14:15 h | O25/648 |
07.02.2017 | Markus Jäckle Helmholtz Institute Ulm | Diffusion barriers as descriptors for dendrite growth? | 14:00 h | HIU/230 |
08.03.2017 | Oleg Borodin Army Research Lab, USA | Insight into Battery Electrolytes, SEI and Double Layer Molecular Modelling | 9:15 h | O25/346 |
14.03.2017 | Andrea Balducci University of Jena | Towards innovative electrolytes for electrochemical double layer capacitors | 10:15 h | O25/346 |
Institutsseminar SS 2016
21.04.2016 | Anik Sen Universität Ulm | H-bond and Electric-field correlations for water in Highly hydrated crystals | 14:15 h | O25/346 |
28.04.2016 | Frank Neese MPI Mühlheim (Ruhr) | Die Chemie sauberer Energie: Inspirationen aus der Natur. (This talk is in German!) | 17:15 h | H1 |
04.05.2016 | Alexei Kornyshev Imperial College London | Electrochemical plasmonics | 17:15 h | H16 |
12.05.2016 | Holger Euchner Universität Ulm/HIU | Decomposition of formic acid on Pd-based surfaces | 14:45 h | O25/346 |
19.05.2016 | Leila Mohammadzadeh Universität Ulm | Encapsulation of alkali and halogen atoms into various carbon nanotubes | 14:15 h | O25/346 |
25.05.2016 | Axel Groß Universität Ulm/HIU | DFT calculations and battery materials | 10:40 h | HIU/230 |
09.06.2016 | Wolfgang Schmickler Universität Ulm | The electrochemical double layer: models and myths | 14:15 h | O25/346 |
16.06.2016 | Florian Gossenberger Universität Ulm | Ion adsorption on metal electrodes | 14:15 h | O25/346 |
30.06.2016 | Luis Mancera Universität Ulm | Investigation of the structure formation of metal surface alloys using a combined DFT and kMC approach | 14:15 h | O25/346 |
13.07.2016 | Sophie Gasser Universität Ulm | Path integral molecular dynamics | 14:15 h | O25/346 |
13.07.2016 | Jürgen Garche Universität Ulm | When will we have a market for electric vehicles? | 15:15 h | O25/346 |
19.07.2016 | Thomas Kadyk SFU Burnady/Canada | How to enhance gas removal from porous electrodes? | 14:15 h | O25/H7 |
Institutsseminar WS 2015/16
22.10.2015 | Barbara Kirchner Universität Bonn | Complex Molecular and Ionic Liquids from First-Principles Molecular Dynamics Simulations | 14:15h | N24/104 |
03.11.2015 | Sung Sakong Ulm University | Electro-oxidation of methanol within an implicit water method | 14:15h | O25/648 |
10.11.2015 | Luis Mancera | Structure formation mechanisms of PtCu/Ru(0001) bimetallic surfaces | 14:15h | O25/648 |
17.11.2015 | Nicolas Hörmann | Ab-initio-based modelling of Li2FeSiO4 and Sn | 14:00h | HIU/230 |
20.11.2015 | Kim Jessica Novacek LMU München | Festphasenbenetzung: Computerchemische Projekte | 10:30h | N25/2103 |
08.12.2015 | Maria Fernanda Juarez | Volcano plots in Hydrogen Evolution Reaction | 14:15h | O25/648 |
15.12.2015 | Elena Savinova University of Strasbourg | Electrocatalysis on nanoparticles | 14:15h | O25/648 |
12.01.2016 | Aleksej Goduljan Ulm University | Electrostatics of ions in narrow tubes | 14:15h | O25/648 |
19.01.2016 | Leandro Moreira de Campos Pinto Ulm University | Effect of solvent in the simulation of electrochemical environment | 14:15h | O25/648 |
21.01.2016 | David Mahlberg University of Bonn | Vibrational spectroscopy of molecules adsorbed on graphite surfaces | 14:15h | O25/648 |
28.01.2016 | Sebastian Dohm Ulm University | Developing Adaptive QM/MM Computer Simulations for Electrochemistry | 12:30h | N24/227 |
04.02.2016 | Christoph Jacob University of Braunschweig | Subsystem Quantum Chemistry for Molecular Materials | 14:15h | M24/H10 |
09.02.2016 | Debora Capella Salmazo Université de Strasbourg Fabiola Domínguez Flores Universidad Autónoma Metropolitana Tamires Ferreira da Costa Universidade Federal do Rio Grande do Norte, | Preliminary studies of hydrogen evolution reaction on alkaline media | 14:15h | O25/648 |
Institutsseminar SS 2015
23.04.2015 | Mischa Bonn Max Planck Institute for Polymer Research | Canceled, due to strike of the german railway system. | - | - |
30.04.2015 | Martin Schilling Ulm University | H2O adsorption on Pt-Ru(0001) - an UHV-STM investigation on the influence of the Pt-layer thickness | 14:15h | O25/346 |
07.05.2015 | Tamara Husch Ulm University | Charting the known chemical space for non-aqueous Lithium-air battery electrolyte solvents | 14:15h | O25/346 |
08.05.2015 | Holger Euchner TU Wien | New functional materials - understanding and tailoring material properties | 14:30h | O25/346 |
21.05.2015 | Nicolas Hörmann HIU | Kinetics of phase separating battery materials: From ab-initio calculations to the particle scale and beyond | 14:15h | O25/346 |
11.06.2015 | Duygu Yilmazer Ulm University | Computational Screening of Energy and Biomaterials | 14:15h | O25/346 |
18.06.2015 | Tanglaw Roman Ulm University | Solid water in several dimensions | 14:15h | O25/346 |
18.06.2015 | Prof. Dr. Mischa Bonn Max Planck Institute for Polymer Research | Structure and Dynamics of Interfacial Water | 17:15h | H1 |
22.06.2015 | Andreas Klamt University of Regensburg | COSMO-RS: From QuantumChemistry to Fluid Phase Thermodynamics | 16:15h | H7 |
02.07.2015 | Andreas Grüneis Max Planck Institute for Solid State Research | Efficient explicitly correlated many-electron perturbation theory for solids | 14:15h | O25/346 |
09.07.2015 | Vanessa Jane Bukas TUM | "Hot" adatoms hopping: Phononic dissipation & equilibration dynamics from first-principles | 14:15h | O25/346 |
Institutsseminar WS 2014/15
WS 2014/15
23.10.2014 | Sung | Visualization of VASP data using VMD and Mathematica | 14:15 h O25/346 |
06.11.2014 | Jürgen Behm Universität Ulm | Celebrating Symposium | |
13.11.2014 | Xiaohang | First principles study of structures and processes at the metallic electrode | 14:15 h O25/346 |
20.11.2014 | Tamara | Computational studies on the solid electrolyte interphase formation | 14:15 O25/346 |
25.11.2014 Tuesday | Tobias Schwabe Universität Hamburg | Polarizable Embedding: A more accurate modelling of environmental effects on excitation energies | 16:15 N25/2103 |
27.11.2014 | Sergey Kislenko | Molecular dynamics simulations of electron transfer across electrochemical interfaces | 14:15 O25/346 |
04.12.2014 | Nicolas Hörmann | Structure and Thermodynamics of Sn nanoparticles | 14:15 O25/346 |
09.12.2014 | Frederik Tielens | Characterization of Self-Assembled Monolayers on Metal Surfaces | 14:15 N25/H9 |
11.12.2014 | Harald | A theoretical description of water splitting on metal decorated oxide surfaces | 14:15 O25/346 |
18.12.2014 | Christian Carbogno FHI | Towards the First-Principles Discovery of (novel) Thermoelectric Materials | 14:15 O25/346 |
15.01.2015 | Jan Kucera Universität Ulm | Tracking of the origins of substrate-induced modifications of the catalytic properties of Pt and Pd monolayers on Au | 14:15 O25/346 |
26.01.2015 | Karsten Siegmund and Christian Mosch Universität Ulm | Introduction to bwHPC Computer Clusters |
Uni West |
Institutsseminar WS und SS 2013/14
SS 2014
Sprecher | TitelZeit und Ort|||
13.05.2014 | Axel Groß Universität Ulm | Oxygen on flat and stepped Pt surfaces: physisorption, molecular and dissociative chemisorption | 14:15h, O25/648 |
20.05.2014 | Nikolaj Moll IBM Research Zurich | Molecular Geometry Determination by Atomic Force Microscopy | 14:15h, O25/648 |
17.06.2014 | Wolfgang Schmickler Universität Ulm | The enigma of metal deposition unravelled | 14:15h, O25/648 |
04.07.2014 | Renat Nazmutdinov Kazan State University | Molecular Modelling of Chiral Effects in Electron Transfer Reactions | 14:00h, N25/2103 |
WS 2013/14
24.10.2013 | Markus Jäckle Universität Ulm | Comparison of Lithium- and Magnesium Anode Materials on a microscopic Level using DFT | 14:15h, O25/346 |
31.10.2013 | Sung Sakong Universität Ulm | Modeling Au catalyzed GaAs nanowire growth from first-principles | 14:15h, O25/346 |
14.11.2013 | Uwe Friedel Universität Ulm | Theory of the Scanning Tunneling Hydrogen Microscope | 14:30h, O25/346 |
21.11.2013 | Luis Mancera Universität Ulm | Hydrogen Adsorption on bimetallic PdAg/Pd(111) surface alloys | 14:15h, O25/346 |
28.11.2013 | Renat Natmudinov Universität Kasan, Russland | Molecular modelling of electron transfer across a metal/ionic liquid interface: where do we stand ? | 14:15h, O25/346 |
05.12.2013 | Jimmy Charnley Kroman Copenhagen University, Denmark | Quantum Biochemistry | 14:15h, O25/346 |
12.12.2013 | Maryam Naderian Universität Ulm | Water adsorption on Pt(111): Ab initio molecular dynamic studies | 14:15h, O25/346 |
19.12.2013 | Peter Kratzer Universität Duisburg-Essen | How adsorbates dissipate their energy: first-principles studies | 14:15h, O25/346 |
07.01.2014 | Rutger van Santen TU Eindhoven | Mechanism and microkinetics of the Fischer-Tropsch reaction | 16:15h, 47.2.101 Uni West |
16.01.2014 | Anna Ignaczak University of Lodz | Theoretical models of bond breaking electron transfer | 14:15h, O25/346 |
13.02.2014 | Aleksej Goduljan Universität Ulm | Adsorption of hydrogen on Au/AuPd-nanowires | 14:15h, O25/346 |
Institutsseminar SS 2013
02.05.2013 | Markus Jäckle Universität Ulm | Comparison of microscopic Li- and Mg-electrode properties due to dendrite formation at Li-electrodes | 14:15h, M24/H10 |
06.05.2013 | Nicolas Hörmann Helmholtz Insitut Ulm | Tentative title: Stability, composition and properties of silicate surfaces | 15:15h, O25/306 |
23.05.2013 | Leila Mohammadzadeh Universität Ulm | Reverse Nonequilibrium Molecular Dynamics simulation of Thermal conductivity of Nanoconfined Polyamide-6,6 | 15:15h, O25/306 |
28.05.2013 | Andres Ruderman Universität Ulm | Improving silver electrode catalytic activity: from theory to experiment | 14:15h, O25/648 |
06.06.2013 | Stefan Müller Technische Universität Hamburg-Harburg | From electronic structure to real materials properties via the cluster expansion method: concept and realization | 14:15h, M24/H10 |
11.06.2013 | Nusret Dyugu Yilmazer / Pascal Heitel Universität Ulm | Comparison of computational methods for scoring protein-ligand interactions | 14:15h, O25/648 |
17.06.2013 | Frank Neese MPI Mühlheim | Spektroskopie und Quantenchemie: Eine starke Partnerschaft in (Bio)chemie und Materialwissenschaften | 14:45h, O25/H1 |
17.06.2013 | Thomas A. Vilgis MPI Mainz | Lebensmittel: Schnittstellen von Physik, Chemie und Genuss | 15:45h, O25/H1 |
18.06.2013 | Xiaohang Lin Universität Ulm | Water structures and diffusion processes at nanostructured electrodes | 16:15h, O25/648 |
08.07.2013 | Jörg Behler Ruhr-Universität Bochum | Computer Simulation of Complex Systems Employing High-Dimensional Neural Network Potentials | 15:15h, O25/306 |
08.07.2013 | William A. Goddard, III CalTech, Pasadena/USA | First principles based methods with applications to materials and chemistry research | 17:15h, O25/H1 |
16.07.2013 | Ioan Baldea Universität Heidelberg | Bipydiridine - a Benchmark for "Dry" and "Wet" Molecular Electronics | 14:15h, O25/648 |
Institutsseminar WS 2012/13
17.07.2012 | Mira Todorova MPI für Eisenforschung Düsseldorf | Extending thermodynamics concepts combined with first-principles calculations to address questions related to aequeous corrosion: potential and challenges | 14:15h, N25/H9 |
13.11.2012 | H. Fabio Busnengo Instituto de Fisica Rosario CONICET - UNR Rosario, Argentina | Structure of self-assembled monolayers of alkylthiolates on Au(111) and Ag(111): the role of chain-chain interactions and induced surface reconstruction | 15:15h |
22.11.2012 | Julia Melisande Fischer Universität Ulm | Calculation of hydrogen and water structures on bimetallic surfaces | 14:15h |
13.12.2012 | Florian Gossenberger Universität Ulm | Halogen adsorption-induced work function changes on Pt(111) | 14:15h N25/2103 |
20.12.2012 | Paola Quaino University of Santa Fe, Argentina | Hydrogen absorption in multilayers of Pd on Au(111) | 14:15h N25/2103 |
08.01.2013 | Axel Groß Universität Ulm | Komplexität in den Naturwissenschaften | 18:30h N27 |
31.01.2013 | Hans-Peter Steinrück Universität Erlangen-Nürnberg | Surface chemical reactions: From simple molecules to porphyrins | 17:15h O25/H1 |
Institutsseminar SS 2012
14.02.2012 | Yasunobu Ando The University of Tokyo | Ab initio molecular dynamics study of the electric double-layer and its capacitance formed on solid-liquid interfaces | 14:15 h, O25/H7 |
08.05.2012 | Jan Kucera Universität Ulm | Adsorption of Di-4-pyridine-di-sulphide on Au(111) | 14:05 h, N25/H9 |
15.05.2012 | Wilhelm Brenig Technische Universität München | Hydrogen catalysis in the early universe | 14:15 h, N25/H9 |
05.06.2012 | Florian Gossenberger Universität Ulm | The influence of halogen adsorption on platinum electrodes | 14:15 h, N25/H9 |
12.06.2012 | Julia Fischer Universität Ulm | The interaction of adsorbates with bimetallic surfaces | 14:15 h, N25/H9 |
19.06.2012 | Ivan Infante Donostia International Physics Center (DIPC) | Can half-sigma bond exist in organometallic bridging complexes? | 14:15 h, N25/H9 |
26.06.2012 | Daniela Künzel Universität Ulm | (Bis)terpyridine adsorption on graphite: a theoretical study | 14:15 h, N25/H9 |
03.07.2012 | Ulm Electrochemical Talks | ||
10.07.2012 | Michel Bockstedte Universität Erlangen-Nürnberg | The incomplete ice bilayer on Ice(0001) surfaces | 14:15 h, N25/H9 |
17.07.2012 | Mira Todorova MPI für Eisenforschung Düsseldorf | Extending thermodynamics concepts combined with first-principles calculations to address questions related to aequeous corrosion: potential and challenges | 14:15 h, N25/H9 |
Institutsseminar WS 2011/12
18.10.2011 | Wolfgang G. Bessler DLR Stuttgart | Elektrochemische Multiphysik-Modellierung von Batterien und Brennstoffzellen: Von der Elementarkinetik zum System | 13:00 h, O25/H6 |
18.10.2011 | Arnulf Latz | Dreidimensionale Modellierung und Simulation elektrochemischer Transportprozesse in Li-Ionen Batterien | 14:40 h, O25/H6 |
08.11.2011 | Volker Pankoke | Phase selection in MBE grown GaAs nanowires and atomic processes at the Au catalyst particle | 14:15 h, O25/306 |
15.11.2011 | Martin Korth Universität Ulm | Empirical hydrogen-bond potential functions | 14:15 h, O25/H7 |
29.11.2011 | Tanglaw Roman Universität Ulm | Structure of water layers on platinum electrodes | 14:15 h, O25/H7 |
29.11.2011 | Luis Mancera Universität Ulm | Theoretical studies addressing the structure-reactivity relationships for bimetallic electrode surfaces | 14:45 h, O25/H7 |
20.12.2011 | Wolfgang Schmickler Universität Ulm | DFT with ions: discussion | 14:15 h, O25/306 |
17.01.2011 | Ferdinand Evers Karlsruher Institut für Technologie | Transport calculations based on the density functional theory: fundamental aspects and applications | 14:15 h, O25/H7 |
14.02.2011 | Yasunobu Ando The University of Tokyo | Ab initio molecular dynamics study of the electric double-layer and its capacitance formed on solid-liquid interfaces | 14:15 h, O25/H7 |
Institutsseminar SS 2011
12.04.2011 | Tanglaw Roman, Anja Kobel, German Soldano | VMD hands-on tutorial | 14:15 h, O25/306 |
27.04.2011 | María Escudero Escribano | Electrocatalysis and surface nanostructuring on cyanide-modified Pt(111): experiment and theory at the electrochemical interface | 13:00 h, N25/H9 |
28.04.2011 | Peter Schwerdtfeger Massey University, Auckland, Neuseeland | Relativistic effects in the physics and chemistry of gold | 17:15 h, O25/H1 |
10.05.2011 | Uwe Friedel Universität Ulm | Hydrogen on metal surfaces covered by aromatic molecules | 14:15 h, O25/306 |
17.05.2011 | Markus Jäckle Universität Ulm | Adsorption processes on lithium surfaces | 14:15 h, O25/306 |
31.05.2011 | Luis Mancera Universität Ulm | AIMS - a periodic DFT code with a local basis set | 14:15 h, N24/H14 |
31.05.2011 | Ulrich Kleinekathöfer Jacobs Universität Bremen | Atomistic modeling of light-harvesting complexes: correlation, dissipation and spectra | 17:15 h, N24/H11 |
14.06.2011 | Axel Groß Universität Ulm | Multlscale Modeling in computational chemistry and materials science | 14:15 h, N24/H14 |
21.06.2011 | Katrin Tonigold Universität Ulm | Modeling van der Waals forces in adsorbate systems | 14:15 h, N24/H14 |
24.06.2011 | Horacio M. Pastawski Universidad National de Cordoba | Harnessing the decoherence induced quantum dynamical phase transition in experimental situations | 14:00 h, O25/306 |
12.07.2011 | Simon Rittmeyer Universität Ulm | Structural and electronic properties of oligo- and polythiophens | 14:15 h, N24/H14 |
26.07.2011 | Antonio Angelo UNESP, Bauru, Brasilien | The role of Ordered Intermetallics in the Study of the Electrocatalysis | 14:15 h, O25/306 |
Institutsseminar WS 2010/11
26.10.2010 | Ariel Lozano CONICET - Universidad Nacional de Rosario, Argentina | Hydrogen dissociation dynamics on metal surfaces | 15:15 h, O25/306 |
02.11.2010 | Julia Fischer Universität Ulm | Adsorption properties of PtRu surface alloys | 15:15 h, O25/306 |
09.11.2010 | Tanglaw Roman Universität Ulm | Case studies on atomic hydrogen behavior on platinum | 15:15 h, O25/306 |
16.11.2010 | Noelia Luque Universität Ulm | Stability and Mobility of Nanostructures on Metal Electrodes | 15:15 h, O25/306 |
23.11.2010 | Wolfgang Schmickler Universität Ulm | The Heyrovsky reaction or electrochemical desorption in hydrogen evolution | 15:15 h, O25/306 |
30.11.2010 | Payam Kaghazchi Universität Ulm | Adsorbate-induced restructuring of transition metal surfaces | 15:15 h, O25/306 |
07.12.2010 | Claudia Ambrosch-Draxl Universität Leoben | Molecules on Surfaces: A Challenge for Ab-initio Theory | 17:15 h, N24/H11 |
14.12.2010 | Renat Nazmutdinov Universität Kasan, Russland | Quantum chemical modelling of intramolecular electron transfer in cytochrome c4 | 14:15 h, O25/306 |
21.12.2010 | Karsten Reuter Techn. Universität München | From electrons to the reactor: Multiscale modeling of catalytic processes | 17:15 h, N24/H11 |
18.01.2011 | Birger Horstmann Max-Planck-Inst. für Quantenoptik, Garching | Quantum Simulations of Anderson Localization and Hawking Radiation | 14:15 h, O25/306 |
25.01.2011 | Gerhard Taubmann Universität Ulm | Packing effects in the solid-state structure of the pyridine-BF3-adduct | 15:15 h, O25/306 |
01.02.2011 | Xiaohang Lin Universität Ulm | Study of water structures at stepped surfaces | 15:15 h, O25/306 |
03.02.2011 | David Benoit Universität Ulm | Conformational spectroscopy: insights from large-scale anharmonic calculations | 17:15 h, O25/H1 |
08.02.2011 | Chong Gao Universität Ulm | Simulation of Lamina Lithiophilite structures | 14:15 h, O25/306 |
15.02.2011 | Thomas Waldmann Universität Ulm | Bis-terpyridine monolayers on metal surfaces as 2D-model systems | 15:15 h, O25/306 |
22.02.2011 | Ivan Infante Donostia International Physics Center (DIPC) | Noble Gas Matrices May Change the Electronic Structure of Trapped Molecules: The UO2(Ng)(4) [Ng = Ne, Ar] Case | 15:15 h, O25/306 |
Institutsseminar SS 2010
13.04.2010 | Anja Kobel, Heriot-Watt University Edinburgh, Scotland | Computational Study of Ammonia Borane under Pressure | 15:15 h, O25/306 |
18.05.2010 | Anika Wellmann, Universität Ulm | Influence of solvent molecules on the formation of SAMs of dithiol molecules | 15:15 h, O25/306 |
25.05.2010 | Peter Hindelang, Universität Ulm | Nickel and Rhenium- a comparison | 15:15 h, O25/306 |
01.06.2010 | Prof. Dr. Gero Schmidt, Theoretical Physics, Universität Paderborn | Tailoring molecular layers at metal surfaces: Insights from first-principle theory | 17:15 h, H11(N24) SFB-Kolloquium |
08.06.2010 | Yoshihiro Gohda, Department of Physics, University of Tokyo, Japan | Spin-polarized states at nitride/boride interfaces and their electron transport properties | 15:15 h, O25/306 |
15.06.2010 | Oliver Potzel, Universität Ulm | Molecular Crystals: The pressure dependence of "soft" bonds | 15:15 h, O25/306 |
22.06.2010 | Prof. Dr. Jean Demaison, Laboratoire de Physique des Lasers, Atomes et Molécules, Universite Lille, France | Equilibrium Structures: Interplay between Spectroscopy and Quantum Chemistry | 15:15 h, O25/648 |
29.06.2010 | Chong Gao, Universität Ulm | Graphene like honeycomb structures | 15:15 h, O25/306 |
20.07.2010 | Xiaohang Lin, Universität Ulm | Mechanisms of self-diffusion on flat/stepped surfaces of Pb | 15:15 h, O25/306 |
Institutsseminar Theoretische Chemie (WS 09/10)
09.09.2009 | Dr. H. Fabio Busnengo | Reaction pathways for chemisorption of H2S and HSCH3 on Au(111) | 14:15 h, O25/306 |
20.10.2009 | Christian Carbogno | Non-adiabatic effects in the dissociative adsorption of O2 on Al(111) surfaces | 15:00 h N27/2059 |
10.11.2009 | Axel Groß | Concertive mechanisms in reactions at surfaces | 14:15 h, O25/306 |
17.11.2009 | Daniela Künzel Universität Ulm | Bis(terpyridine) adsorption with DFT and force field methods | 15:15 h, O25/306 |
24.11.2009 | Wolfgang Bessler DLR Stuttgart | Detailed electrochemical modeling of fuel cells and batteries | 15:15 h, O25/648 |
01.12.2009 | Eckhard Spohr | Molecular Dynamics Modeling of Proton Discharge at the Aqueous/Metallic Interface | 15:15 h, |
08.12.2009 | Maria Cecilia Gimenez | Monte Carlo simulations of nanowires | 15:15 h, O25/306 |
15.12.2009 | John A. Keith Universität Ulm | Island formation on 4-mercaptopyridine self assembled monolayers | 14:15 h, O25/306 |
12.01.2010 | Elizabeth Santos Universität Ulm | Investigation of different adsorbates from propane thiol on Au(111) using theoretical ab initio tools | 15:15h, O25/306 |
19.01.2010 | Stefan Grimme Universität Münster | Dispersion corrections for density functional theory | 15:15h, O25/648 |
26.01.2010 | Jörg Meyer Fritz-Haber-Institut, Berlin | 'QM/Me' - a novel embedding approach for adsorbate dynamics on metal surfaces | 15:15h, O25/306 |
02.02.2010 | Josef Anton Universität Ulm | title to be announced | 15:15h, O25/306 |
Institusseminar SS 2009
27.04.2009 | Werner Györffy Department of Chemistry, Aarhus University | Reaction pathways for chemisorption of H2S and HSCH3 on Au(111) | 9:15 h, |
19.05.2009 | Katrin Tonigold Uni Ulm | Adsorption of dithiolates on Au surfaces | 15:45 h, O25/306 |
29.05.2009 | Dominik Domin Laboratoire de Chimie Theorique, Universite Pierre et Marie Curie | Energy differences with Quantum Monte Carlo | 10:00 h, O25/306 |
09.06.2009 | German Soldano Uni Ulm | Chemical properties of nanowires and their implications in the adsorption of small species | 15:15 h, O25/306 |
12.06.2009 | Ji Jiang Universite Paris-Est, Marne-la-Vallee, France | Quantum Modelisation of charged helium aggregates | 10:00 h, O25/306 |
19.06.2009 | Chong Gao Uni Ulm | CO adsorption on supported Pt particles | 10:15 h, O25/306 |
23.06.2009 | E.P.M. Leiva Universidad Nacional de Córdoba, Argentina | On the stability of pure and contaminated monatomic nanowires | 15:15 h, O25/306 |
30.06.2009 | Nicolai F. Stepanov Moscow State University, Russia | Modern quantum chemistry: Some problems and trends | 15:15 h, O25/306 |
07.07.2009 | Gerhard Taubmann Uni Ulm | Packing effects in the solid-state structure of a BF3 carbonyl educt | 15:15 h, O25/306 |
09.07.2009 | Peter Saalfrank Universität Potsdam | Electrons and Atoms in Motion | 17:15 h, N24/H12 |
21.07.2009 | Christian Carbogno Uni Ulm | Influence of the van der Waals interaction in gas-surface dynamics | 15:15 h, O25/306 |
24.07.2009 | David Benoit Uni Ulm | Quantum chemical accuracy? A study of H2 | 10:15 h, O25/306 |
14.08.2009 | Sergey Chulkov Moscow State University, Russia | Theoretical estimates of hydrated hydronium reduction partial cross sections and rate constants | 10:00 h, O25/306 |
Institusseminar WS 2008/09
28.10.2008 | Arne Rosen Department of Physics, Göteborg University | A sightseeing tour in the world of clusters - with serendipity and scientific progress | 14:15 h, |
04.11.2008 | Axel Groß Uni Ulm | Modelling the electrode potential at the solid-liquid interface - a challenge in periodic DFT calculations | 15:15 h, O25/306 |
11.11.2008 | Noelia Luque Uni Ulm | A computational approach to defect-induced electrochemical nanostructures | 15:15 h, O25/306 |
18.11.2008 | Jan Kucera Uni Ulm | Adsorption of thiolates on Au electrodes | 15:15 h, O25/306 |
09.12.2008 | Renat Nazmutdinov z. Zt. Uni Ulm | Modelling of heterogeneous charge transfer: new challenges | 15:15 h, O25/306 |
08.01.2009 | Michael Busch University Göteborg | Adsorption on PtRu/Ru(0001) surface alloys | 14:15 h, O25/306 |
20.01.2009 | Olaf Deutschmann Universität Karlsruhe | Catalytic conversion of hydrocarbon fuels: From molecular modeling to reactor optimization | 17:15 h, N24 H11 |
27.01.2009 | Oliver Potzel Uni Ulm | Visualization of molecules and surfaces with Blender | 14:15 h, O25/306 |
03.02.2009 | Angelica Lundin Uni Ulm | Quantum chemical calculations of electron transfer induced conformational changes in copper complexes | 15:15 h, O25/306 |
10.02.2009 | Paola Quaino Uni Ulm | Theory of Hydrogen Reaction on Metals | 15:30 h, O25/306 |
Institusseminar SS 2008
25.04.2008 | Peter Schwerdtfeger Massey Univ., New Zealand | The Pseudopotential Approximation | 10:30 h, N25/568 |
06.05.2008 | Harald Ibach Forschungszentrum Jülich | New experimental results on the electrical properties of solid/metal interfaces and the structure of water in contact with a metal electrode | 15:15 h, N25/568 |
13.05.2008 | Rochus Schmidt Universität Bochum | Molecular Dynamics Simulations of porous Metalorganic Frameworks: The Impact of the Network Topology on the Mobility of Guest Molecule | 15:15 h, N25/568 |
20.05.2008 | Armin Gölzhäuser Universität Bielefeld | Carbon Nanosheets: Fabrication, Characterization and Application | 17:15 h, N24/H11 |
29.05.2008 | Matthias Scheffler Fritz-Haber-Institut, Berlin | Get real! Ab initio Beschreibung der Eigenschaften funktioneller Materialien | 17:15 h, H1 |
03.06.2008 | Erkan Demirci Technische Universität Graz | Adsorption and desorption kinetics of methanol and carbon monoxide on Cu(110) and Ni-Cu(110) surfaces | 15:15 h, N25/568 |
10.06.2008 | Sebastian Schnur Universität Ulm | Hydrogen dissociation at water-covered Pt(111) surfaces | 14:15 h, N25/568 |
17.06.2008 | Axel Groß Universität Ulm | Methanol oxidation and synthesis on Cu(110) | 15:15 h, N25/568 |
24.06.2008 | Opening ceremony for the chemistry computer lab | 15:00 h, O26/198 | |
01.07.2008 | Inga Respondek Universität Ulm | A routine to investigate vibrational anharmonicity of adsorbates on surfaces - the model system 4-mercaptopyridine on Au(111) | 15:15 h, N25/568 |
15.07.2008 | Christian Mosch Universität Ulm | Introduction into the BW computing grid | 15:15 h, N25/568 |
15.07.2008 | Oliver Potzel Universität Ulm | Theoretical investigation of a possible, fullerene based, binary storage unit | 15:30 h, N25/568 |
21.07.2008 | Ulrich Stimming TU München | Nanoelectrocatalysis of Noble Metal Particles | 11:00 h, N25/568 |
14.08.2008 | Armin Sauter Universität Ulm | Quanteneffekte eindimensionaler Spinketten | 14:15 h, N25/568 |
Institusseminar WS 2007/08
18.10.2007 | Claus Ascheron Springer Verlag Heidelberg | Wissenschaftliches Publizieren Oder: Wie man eine gute Publikation verfasst und erfolgreich einreicht | 14:15 h, |
31.10.2007 | Axel Groß Uni Ulm | Modellierung in Chemie und Pharmazie | 17:15 h, Inst. f. Unfallchirurgische Forschung |
06.11.2007 | Gerhard Cox BASF Ludwigshafen | From fuel cells to catalysts | 15:30 h, N24/H15 |
20.11.2007 | Timo Jacob Uni Ulm/FHI Berlin | First Principles Studies of Electrochemical Interfaces | 15:15 h, N25/568 |
27.11.2007 | Armin Sauter Uni Ulm | Eindimensionale Spinketten | 15:15 h, N25/568 |
04.12.2007 | Gotthard Seifert TU Dresden | Computer simulations of nanostructure properties | 17:15 h, N24/H11 |
11.12.2008 | Tanja Reize LMU München | STM Untersuchungen bei tiefen Temperaturen | 15:15 h, N25/568 |
08.01.2008 | Jörg Behler Ruhr Universität Bochum | Metadynamics simulations of phase transitions in solids employing a high-dimensional Neural Network potential | 15:15 h, N25/568 |
15.01.2008 | Michael Thoss TU München | Dynamics of Electron Transfer Processes at Surfaces | 17:15 h, N24/H15 |
23.01.2008 | Benjamin Berberich Uni Ulm | Dichtematrix-Remormalisierungsgruppe | 14:30 h, N25/568 |
28.01.2008 | Wolfram Münch EnBW Energie Baden-Württemberg, Karlsruhe | Forschung für die Energieversorgung von morgen - Möglichkeiten und Perspektiven für Energieversorgungsunternehmen | 10:15 h, O25/346 |
05.02.2008 | Marie-Laure Bocquet LMU München, ENS Lyon | Electronic structure DFT calculations of 2D networks on metal surfaces: ice on Pd and graphene on Ru | 15:15 h, N25/568 |
12.02.2008 | Wolfgang Schmickler Uni Ulm | Electrocatalysis of the hydrogen oxidation | 15:15 h, N25/568 |
15.02.2008 | G. Beltramo Institut für Bio- und Nanosysteme, Jülich | Potential dependence of the step line tension on vicinal gold surfaces | 14:00 h, N25/568 |
28.03.2008 | Benjamin Berberich Uni Ulm | Quantum delocalization and correlation phenomena in adsorbed hydrogen layers | 10:15 h, N25/568 |
Institusseminar SS 2007
24.04.2007 | Axel Groß Inst. f. Theor. Chemie | Hydrogen adsorption on hydrogen-precovered Pd surfaces | 15:15 h, |
08.05.2007 | Jürgen Dollinger Inst. f. Theor. Chemie | Fractals: theory and experiment | 15:15 h, N25/568 |
15.05.2007 | David Benoit Nachwuchsgruppe Theorie | Intermolecular forces are just a perturbation... | 15:15 h, N25/568 |
22.05.2007 | Christian Carbogno Inst. f. Theor. Chemie | Special Seminar for Diploma Students: Introduction to the TheoChem Computer Cluster | 15:15 h, N25/568 |
29.05.2007 | Christian Mosch Inst. f. Theor. Chemie | Scientific Visualization in 3D | 15:15 h, N25/568 |
19.06.2007 | Oliver Potzel Inst. f. Theor. Chemie | The absolute hardness in phase transitions | 15:15 h, N25/568 |
26.06.2007 | Sebastian Schnur Inst. f. Theor. Chemie | Adsorption on strained transition metal surfaces | 15:15 h, N25/568 |
03.07.2007 | Katrin Tonigold Inst. f. Theor. Chemie | Adsorption of thiophene and pyridine on metal surfaces | 14:15 h, N25/568 |
10.07.2007 | Benjamin Berberich Inst. f. Theor. Chemie | Quantum delocalization and correlation effects of adsorbed H atoms | 14:15 h, N25/568 |
12.07.2007 | Dr. Jürgen Vogt Arbeitsgruppe Chemieinformationssysteme | The MOGADOC Database and Molecular Modelling | 15:15 h, N25/568 |
17.07.2007 | Daniela Künzel Inst. f. Theor. Chemie | Organic surface template structures | 15:15 h, N25/568 |
24.07.2007 | PD Dr. Guntram Rauhut Inst. f. Theor. Chemie, Universität Stuttgart | Accurate calculation of anharmonic vibrational frequencies of medium sized molecules using local coupled cluster methods | 15:15 h, N25/568 |
07.08.2007 | Dr. Angelica Lundin Universität Göteborg/Schweden | Quantum chemical studies of olefin epoxidation and benzyne biradicals | 14:15 h, N25/568 |
Institusseminar WS 2006/07
17.10.2006 | Sonja Bartenschlager Inst. f. Theor. Chemie | d-Band Catalysis in Electrochemistry | 15:15 h, |
07.11.2006 | Florian Wilhelm Inst. f. Theor. Chemie | A model for proton transfer to metal electrodes | 15:15 h, N25/568 |
21.11.2006 | Inga Respondek Universität Potsdam | Theoretical Study of Spin Crossover Complexes with DFT | 15:15 h, N25/568 |
28.11.2006 | Masato Tanaka | An ab initio MO study on alkali metal ion aqueous solution | 14:15 h, N25/568 |
05.12.2006 | Jan Kucera Inst. f. Theor. Chemie | Metal - SAM - metal junction: DFT study of Au(111) -- 4-mercaptopyridine - Pd system | 15:15 h, N25/568 |
19.12.2006 | Christian Carbogno Inst. f. Theor. Chemie | Non - Adiabatic Effects in the Dissociative Adsorption of Oxygen on Aluminum (111) | 15:15 h, N25/568 |
09.1.2007 | Prof. Peter Schwerdtfeger Massey Univ., New Zealand | The Quest for Absolute Chirality | 15:15 h, N25/568 |
16.1.2007 | Christian Mosch Inst. f. Theor. Chemie | Adsorption of molecular Oxygen on metal surfaces | 15:15 h, N25/568 |
23.1.2007 | Kay Pötting Inst. f. Theor. Chemie | Ostwald ripenig: comparison between EAM and DFT | 15:15 h, N25/568 |
13.2.2007 | Yoshihiro Gohda Inst. f. Theor. Chemie | t.b.a. | 15:15 h, N25/568 |
Institusseminar SS 2006
25.04.2006 | Peter Schwerdtfeger Massey University, Auckland, Neuseeland | Relativistic Effects in the Chemistry of Gold | 15:15 h, |
09.05.06 | Wilhelm Brenig Techische Universität München | Multiphonon resonances in He-Xe/Cu scattering | 15:15 h, N25/568 |
15.05.2006 | Axel Groß Abt. Theor. Chemie | Methoden der mikroskopischen Beschreibung chemischer Elementarprozesse | 14:15 h, ZSW |
22.05.2006 | Chr. Mosch Abt. Theor. Chemie | Aufstellung und Betrieb eines lokalen Rechnerclusters für das wissenschaftliche Rechnen | 14:15 h, ZSW |
30.05.2006 | Oliver Potzel, Gerhard Taubmann Abt. Theor. Chemie | On the B1-B2 phase transition: A path using only the transformation matrix | 15:15 h, N25/568 |
06.06.2006 | Sung Sakong Abt. Theor. Chemie | Theoretical reaction pathways of CO2 formation from methanol on Cu(110) | 15:15 h, N25/568 |
26.06.2006 | Wolfgang Schmickler Abt. Theor. Chemie | Molekulardynamiksimulationen im großkanonischen Ensemble | 14:15 h, ZSW |
11.07.2006 | Stefan Frank Abt. Theor. Chemie | Kinetic Monte Carlo simulations of a lattice-gas model for electrodeposition: effect of lateral diffusion | 15:15 h, N25/568 |
18.07.2006 | Yoshi Gohda Abt. Theor. Chemie | CO adsorption on the PtAu system | 15:15 h, N25/568 |
25.07.2006 | Yohann Scribano University of Montpellier II | Theoretical Study of the Water Dimer (H2O)2 | 10:15 h, N25/568 |
Institusseminar WS 2005/06
08.11.2005 | Gerhard Taubmann Universität Ulm | Berechnung der Schwingungszustandssumme | 15:15 h, |
22.11.05 | David Benoit Universität Ulm, Nachwuchsgruppe Theorie | Quantum vibrations in extended systems: recycling ab initio methods for nuclear dynamics | 17:15 h, N24/H11 |
29.11.05 | Leonhard Walz DaimlerChrysler Forschungszentrum Ulm | Was der Chemiestudent widerspruchslos lernt und den Kristallchemiker eigentlich verwundert - eine wahre Fundgrube für Theoretische Chemiker | 15:15 h, N25/568 |
06.12.05 | Oliver Potzel Universität Ulm | Der druckinduzierte Phasenübergang B1 -> antiisotyp B8 am Beispiel von BaO im Blickwinkel kristallchemischer Ungereimtheiten | 15:15 h, N25/568 |
13.12.05 | Sung Sakong Universität Ulm | The reactivity of CO adsorption on Cu-Pd alloys | 15:15 h, N25/568 |
10.01.06 | Thomas Markert Universität Ulm | Force field and DFT calculations of small organic molecules on graphite | 15:15 h, N25/568 |
17.01.06 | Jens Grimminger Universität Ulm | Ein Modell für gekoppelten Elektronen- und Protonentransfer an Metallelektroden | 15:15 h, N25/568 |
24.01.06 | Bjørk Hammer University of Aarhus, Denmark | Self-assembling of chiral molecules on Au surfaces | 17:15 h, N24/H11 |
31.01.06 | Sonja Bartenschlager Universität Ulm | Electrochemical electron transfer with bond breaking | 15:15 h, N25/568 |
14.02.06 | Wolfram Münch EnBW Energie Baden-Württemberg, Karlsruhe | Zur Nachhaltigkeit der Energieversorgung der Zukunft | 15:15 h, N25/568 |
Institusseminar SS 2005
26.04.05 | Axel Groß Universität Ulm | Dynamik der Wechselwirkung von Molekülen mit Oberflächen | 15:15 h, |
03.05.05 | Wolfgang Schmickler Universität Ulm | Nanostrukturen auf Metallelektroden | 15:15 h, O25/648 |
10.05.05 | Christian Carbogno Universität Ulm | Reaktionen an Oberflächen mit elektronischen Übergängen | 15:15 h, O25/648 |
17.05.05 | Yoshihiro Gohda Universität Ulm | Metal-induced gap states at metal-semiconductor interfaces | 15:15 h, O25/648 |
31.05.05 | Edda Gallmeier Universität Ulm | wird bekannt gegeben | 15:15 h, O25/648 |
28.06.05 | Hans-Ullrich Siehl Universität Ulm | Das fruchtbare Zusammenspiel zwischen Experiment und Theorie: Von reaktiven Zwischenstufen (Carbokationen), über Ionische Flüssigkeiten zur metallkatalysierten CO2-Fixierung | 15:15 h, O25/648 |
12.07.05 | Elisabeth Santos Universität Ulm | Second harmonic generation as a tool to investigate electrochemical interfaces | 15:15 h, O25/648 |