Organizers
- Prof. Hannes Jónsson (University of Iceland)
- Prof. Kari Laasonen (Aalto University)
- Prof. Tomi Laurila (Aalto University)
- Dr. Miguel Caro (Aalto University)
Lecturers
For more info on the tutorial day, check out the Lectures section.
Invited speakers
For a list of invited speakers and their presentations, check out the Invited speakers section.
Other participants
| Name | Institution | Contribution | Contact information |
| Aarva, Anja | Aalto University, Finland | anja.aarva@aalto.fi | |
| Ambrosio, Francesco | École Polytechnique Fédérale de Lausanne (EPFL), Switzerland | Contributed talk:pH-dependent surface chemistry and catalytic reaction pathway from first-principles (abstract) | Francesco.Ambrosio@epfl.ch |
| Bouzid, Assil | École Polytechnique Fédérale de Lausanne (EPFL), Switzerland | Contributed talk:Modelling electrochemical processes through constant Fermi-level molecular dynamics (abstract) | |
| Casey-Stevens, Caitlin | University of Otago, New Zealand | Poster:Rational design of a CuPd nanoparticle catalyst for electrochemical NO3– reduction using computational techniques (abstract) | caitlin.caseystevens@gmail.com |
| Chang, Jin Hyun | Technical University of Denmark (DTU), Denmark | jchang@dtu.dk | |
| Creazzo, Fabrizio | Université d’Évry val d’Essonne; Université Paris-Saclay, France | Poster:First-principles molecular dynamics (FPMD) simulations of Co3O4/acqueous solutions interfaces: electrocatalysis & water splitting (abstract) | fabrizio.creazzo@univ-evry.fr |
| Dávila, Alexandra | Institute of Theoretical Physics and Astrophysics (ITAP), CAU Kiel, Germany | Poster:DFT study for halide covered Ag(100) and Au(100) surfaces in an electrochemical environment (abstract) | davila@theo-physik.uni-kiel.de |
| Elbaz, Yuval | Technion – Israel Institute of Technology, Israel | Poster:An ab-initio study of hydrogen atom catalysis and diffusion in nickel oxy/hydroxide (abstract) | |
| Fantauzzi, Donato | University of Iceland | Poster:Pt(111) surface oxidation – from surface science to electrochemical surface science – a theoretical multiscale approach (abstract) |
donato@hi.is |
| Frost, Jarvist Moore | King’s College London, UK | Poster:Molecular dynamics with electron open-boundaries (abstract)&Rump:Quantum corrosion – tight-binding with open boundaries | |
| Gaigeot, Marie-Pierre | Université d’Évry Val-d’Essonne; Université Paris-Saclay, France | Contributed talk:Oxide/water interfaces characterized by ab initio molecular dynamics simulations: making the link between structure and SFG spectroscopy, and beyond (abstract) | mgaigeot@univ-evry.fr |
| Galimberti, Daria Ruth | Université d’Évry val d’Essonne; Université Paris-Saclay, France | Contributed talk:Molecular organization at charged solid-water interfaces: vSFG χ(2)(ω)signal, χ(3)(ω) contribution and how to use them for revealinginterfacial structures (abstract) | dariaruth.galimberti@univ-evry.fr |
| George, Kiran | Dutch Institute for Fundamental Energy Research (DIFFER), Netherlands | Contributed talk:Integrated modeling of multistep reactions at photo-electrochemical interfaces by combining DFT and non-linear state-space modeling (abstract) | k.george@differ.nl |
| Gono, Patrick | École Polytechnique Fédérale de Lausanne (EPFL), Switzerland | Poster:Surface hole polarons in the oxygen evolution reaction on rutile titanium dioxide (abstract) | patrick.gono@epfl.ch |
| Ibragimova, Rina | Aalto University, Finland | Poster:Theoretical study of Ti2C MXenes functionalization process (abstract) | rina.ibragimova@aalto.fi |
| Jeanmairet, Guillaume | Sorbonne Université, France | Contributed talk:Using molecular density functional theory to study electron transfer reaction in water (abstract) | guillaume.jeanmairet@sorbonne-universite.fr |
| Kastlunger, Georg | Brown University, USA | Poster:Probing the potential and pH dependence of HER kinetics from first principles via intrinsic reaction barriers (abstract) | georg_kastlunger@brown.edu |
| Kloppenburg, Jan | Université Catholique de Louvain, Belgium | Contributed talk:Adsorbs on MBE-grown IrO2 (abstract)&Rump:How do we (technically) include vibration/entropic, solvation and pH effects? | jan.kloppenburg@uclouvain.be |
| Kronberg, Rasmus | Aalto University, Finland | Poster:Ab initio molecular dynamics simulation of the platinum/water interface: Further insights into structure and electrocatalysis (abstract) | rasmus.kronberg@aalto.fi |
| Le, Jiabo | Xiamen University, China | Contributed talk:Modelling metal electrolyte interfaces from density functional theory based molecular dynamics (abstract) | jiabole@xmu.edu.cn |
| Liu, Chang | Stockholm University, Sweden | Poster:The influence of subsurface oxygen on CO adsorption: A theoretical investigation (abstract) | |
| Maurer, Reinhard | University of Warwick, United Kingdom | Contributed talk:Electrochemically-driven metal nanoparticle nucleation and growth (abstract) | |
| Melander, Marko | University of Jyväskylä, Finland | Contributed talk:Describing charge transfer kinetics in batteries and electrocatalytic systems with DFT (abstract)&Rump:Beyond the computational hydrogen electrode? | marko.m.melander@jyu.fi |
| Murdachaew, Garold | Aalto University, Finland | Contributed talk:Oxygen evolution reaction on nitrogen-doped carbon nanotubes (abstract) | g.murdachaew@gmail.com |
| Musso, Tiziana | University of Zürich, Switzerland | Poster:Investigation of the adsorption of phosphonic acid on the rutile TiO2(110) surface for water splitting Applications (abstract) | tiziana.musso@chem.uzh.ch |
| Partanen, Lauri | Aalto University, Finland | Poster:Kinetic barriers and reaction energetics of oxygen evolution reaction on nitrogen-doped carbon nanotubes (abstract) | lauri.partanen@aalto.fi |
| Paxton, Tony | King’s College London, UK | tony.paxton@kcl.ac.uk | |
| Ruffman, Charlie | University of Otago, New Zealand | Poster:Hydrogen production using 2D MoS2 electrocatalysts: The effect of applied potential and catalyst support (abstract) | charlie.ruffman@postgrad.otago.ac.nz |
| Svane, Katrine | Technical University of Denmark (DTU), Denmark | Poster:Effect of anion adsorption on the activity of M-N4 catalysts (abstract) | kasv@dtu.dk |
| Van den Bossche, Maxime | Brown University, USA | Poster:CER over Cu – formate production and clathrate hydrate effects (abstract) | mvdb@brown.edu |
| Zarrouk, Tigany | King’s College London, UK | tigany.zarrouk@kcl.ac.uk | |
| Zhang, Xueqing | Delft University of Technology and Dutch Institute for Fundamental Energy Research (DIFFER), Netherlands | Rump:How to Model the Oxygen Evolution at the Solid-liquid Interface? | |
| Zozoulenko, Igor | Linköping University, Sweden | Poster:Oxygen reduction reaction in p- and n-doped conducting polymers: experiment and theory (abstract) | igor.zozoulenko@liu.se |