• Prof. Hannes Jónsson (University of Iceland)
  • Prof. Kari Laasonen (Aalto University)
  • Prof. Tomi Laurila (Aalto University)
  • Dr. Miguel Caro (Aalto University)


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
Ambrosio, Francesco École Polytechnique Fédérale de Lausanne (EPFL), Switzerland Contributed talk:
pH-dependent surface chemistry and catalytic reaction pathway from first-principles (abstract)
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)
Chang, Jin Hyun Technical University of Denmark (DTU), Denmark
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)
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)
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
Frost, Jarvist Moore King’s College London, UK Poster:
Molecular dynamics with electron open-boundaries (abstract)
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)
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)
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)
Gono, Patrick École Polytechnique Fédérale de Lausanne (EPFL), Switzerland Poster:
Surface hole polarons in the oxygen evolution reaction on rutile titanium dioxide (abstract)
Ibragimova, Rina Aalto University, Finland Poster:
Theoretical study of Ti2C MXenes functionalization process (abstract)
Jeanmairet, Guillaume Sorbonne Université, France Contributed talk:
Using molecular density functional theory to study electron transfer reaction in water (abstract)
Kastlunger, Georg Brown University, USA Poster:
Probing the potential and pH dependence of HER kinetics from first principles via intrinsic reaction barriers (abstract)
Kloppenburg, Jan Université Catholique de Louvain, Belgium Contributed talk:
Adsorbs on MBE-grown IrO2 (abstract)
How do we (technically) include vibration/entropic, solvation and pH effects?
Kronberg, Rasmus Aalto University, Finland Poster:
Ab initio molecular dynamics simulation of the platinum/water interface: Further insights into structure and electrocatalysis (abstract)
Le, Jiabo Xiamen University, China Contributed talk:
Modelling metal electrolyte interfaces from density functional theory based molecular dynamics (abstract)
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)
Beyond the computational hydrogen electrode?
Murdachaew, Garold Aalto University, Finland Contributed talk:
Oxygen evolution reaction on nitrogen-doped carbon nanotubes (abstract)
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)
Partanen, Lauri Aalto University, Finland Poster:
Kinetic barriers and reaction energetics of oxygen evolution reaction on nitrogen-doped carbon nanotubes (abstract)
Paxton, Tony King’s College London, UK
Ruffman, Charlie University of Otago, New Zealand Poster:
Hydrogen production using 2D MoS2 electrocatalysts: The effect of applied potential and catalyst support (abstract)
Svane, Katrine Technical University of Denmark (DTU), Denmark Poster:
Effect of anion adsorption on the activity of M-N4 catalysts (abstract)
Van den Bossche, Maxime Brown University, USA Poster:
CER over Cu – formate production and clathrate hydrate effects (abstract)
Zarrouk, Tigany King’s College London, 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)