Computational and theoretical electrochemistry

Research group type

Research group

Core fields of research

Basic natural phenomena and mathematical thinking

Research areas

Sustainable society

Chemical Nanoscience

Circular Economy

Nanoscience Center

Faculty

Faculty of Mathematics and Science

Department

Department of Chemistry

Research group description

The computational and theoretical electrochemistry groups works between fundamental and applied electrochemistry. We develop theory and methods to understand electrochemical interfaces and reactions with various applications in fundamental and applied electrochemistry. Currently, we are working on four main topics.

1) Theory and computational methods for electrochemical interfaces, dynamics, and (proton-coupled) electron transfer reactions
2) Understanding the impact of reaction conditions, such as pH, electrolyte, and electrode potential, on electrochemical reactions
3)Applications in electrochemical energy conversion and storage}: hydrogen evolution, water splitting splitting, and carbon dioxide and oxygen reduction reactions
4) Computational spectroscopy of solid-liquid and solid-gas interfaces

Publications

Publication

2025

Current Opinion in Electrochemistry

Moradi, Kayvan

Melander, Marko M.

Publication

2025

Small

Moradi, Kayvan

Ashrafi, Maysam

Salimi, Abdollah

Melander, Marko M.

Publication

2025

Chemical Engineering Journal

Zupanc, Anže

Install, Joseph

Weckman, Timo

Melander, Marko M.

Kemell, Marianna

Honkala, Karoliina

Repo, Timo

Publication

2024

npj Computational Materials

Melander, Marko M.

Wu, Tongwei

Weckman, Timo

Honkala, Karoliina

Publication

2024

Journal of Alloys and Compounds

Laelabadi, Katayoon Gholami

Moradi, Kayvan

Salimi, Abdollah

Publication

2024

ChemCatChem

Ugartemendia, Andoni

Mercero, Jose M.

de Cózar, Abel

Melander, Marko M.

Akola, Jaakko

Jimenez-Izal, Elisa

Publication

2024

Journal of Chemical Physics

Mortensen, Jens Jørgen

Larsen, Ask Hjorth

Kuisma, Mikael

Ivanov, Aleksei V.

Taghizadeh, Alireza

Peterson, Andrew

Haldar, Anubhab

Dohn, Asmus Ougaard

Schäfer, Christian

Jónsson, Elvar Örn

Hermes, Eric D.

Nilsson, Fredrik Andreas

Kastlunger, Georg

Levi, Gianluca

Jónsson, Hannes

Häkkinen, Hannu

Fojt, Jakub

Kangsabanik, Jiban

Sødequist, Joachim

Lehtomäki, Jouko

Heske, Julian

Enkovaara, Jussi

Winther, Kirsten Trøstrup

Dulak, Marcin

Melander, Marko M.

Ovesen, Martin

Louhivuori, Martti

Walter, Michael

Gjerding, Morten

Lopez-Acevedo, Olga

Erhart, Paul

Warmbier, Robert

Würdemann, Rolf

Kaappa, Sami

Latini, Simone

Boland, Tara Maria

Bligaard, Thomas

Skovhus, Thorbjørn

Susi, Toma

Maxson, Tristan

Rossi, Tuomas

Chen, Xi

Schmerwitz, Yorick Leonard A.

Schiøtz, Jakob

Olsen, Thomas

Jacobsen, Karsten Wedel

Thygesen, Kristian Sommer

Publication

2024

Journal of Chemical Physics

Domínguez-Flores, Fabiola

Kiljunen, Toni

Groß, Axel

Sakong, Sung

Melander, Marko M.

Publication

2024

Electrochimica Acta

Naghshbandi, Zhwan

Moradi, Kayvan

Salimi, Abdollah

Gholinejad, Mohammad

Feizabadi, Ali

Publication

2024

Angewandte Chemie

Zupanc, Anže

Install, Joseph

Weckman, Timo

Melander, Marko M.

Heikkilä, Mikko J.

Kemell, Marianna

Honkala, Karoliina

Repo, Timo Juhani

Publication

2024

PRX Energy

Huang, Jun

Domínguez-Flores, Fabiola

Melander, Marko

Publication

2023

Journal of Chemical Physics

Domínguez-Flores, Fabiola

Melander, Marko M.

Research group

Group leaders

Marko Melander

Academy Research Fellow

Members

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