Marko Melander

Research fellow and docent in physical (electro)chemistry. Theory and computation to understand and control electrochemistry and (electro)catalysis

[Marko Melander @markomela]

New research from us @CompCatJYU, @jyuscience with Tongwei Wu et al. The combination of simulations and experiments show how the potential-dependent polaron formation activates TiO2 for the hydrogen evolution reaction: https://t.co/DShYbVYa4E

[University of Jyväskylä @uniofjyvaskyla]

Metallit kiertoon! @jyuscience tutkijamme ovat olleet mukana kehittämässä uutta liuotusmenetelmää kullan, hopean ja kuparin talteenottamiseksi elektroniikkajätteestä. Teoreettisella mallilla voidaan ymmärtää paremmin liuotusprosessia. 👉 https://t.co/TmUsTqE8yB @KumpulaScience

[Marko Melander @markomela]

This work was a long time in the making and I'm happy to see the preprint out. Thanks to @SuomenAkatemia for the funding and @csc for the resources.

[Marko Melander @markomela]

Metal-water interfaces are central to electrochemistry, electrocatalysis, materials science etc. But what drives their formation and dictates their thermodynamic properties? With @AxelGro4's group we addressed this in detail through DFT-MD: https://t.co/9jvWZu9yN1

[Marko Melander @markomela]

The results can be used for e.g. benchmarking and developing other methods used for simulating (electrochemical) water-metal interfaces; in particular, the data can be used for parameterizing metal-surface specific implicit solvent models.

[Marko Melander @markomela]

Our first venture in circular chemistry and recycling multi-metal wastes. An experiment-theory-simulation collaboration between @KumpulaScience, @jyuscience, and @CompCatJYU to explain how ionic solvents and green oxidants can recover Cu, Ag and Au: https://t.co/B7M632eXiN

[Marika Toivola @marikatoivola]

Vajaassa vuorokaudessa tällä kirjoituksella on 78 000 lukijaa. Voisitteko @anna_maja kiinnittää esille nostamaani ongelmaan huomiota ennen kuin Campus Online sulautuu osaksi Digivisio 2030 -hanketta? https://t.co/k3VXsCqhVM

[University of Jyväskylä @uniofjyvaskyla]

Miten vetytalous muuttaa Keski-Suomea? Tiedeillassa 30.1. pureudutaan vihreän vedyn kemiaan, teknologiohin ja näkymiin. Asiantuntijoina Karoliina Honkala @uniofjyvaskyla, Mikko Lappalainen @VTTFinland ja Timo Harju @JKLn_kaupunki ➡️ https://t.co/0yp6rLFPfp #JYUnique #vetytalous

[ChemCatChem @ChemCatChem]

Deposited PtGe Clusters as Active and Durable Catalysts for CO Oxidation (Elisa Jimenez-Izal and co-workers) @TheoChem_EHU @ehu_kimika @pobmelat @ejimenez_izal @DIPCehu @NTNU @markomela #openaccess https://t.co/FdTaAFuOpr

[Marko Melander @markomela]

@MGarcia_Melchor @CCEM_Group @lorentzcenter @tcddublin @TCD_Chemistry It was a great meeting with many deep, interesting discussions. Thanks again to the organizers!

[Tero Heikkilä @Tero_T_Heikkila]

I am looking for people for two postdoctoral positions in theoretical condensed-matter physics. One is related with the https://t.co/ietPz7kqSk collaboration and another one on a project studying dynamical response of quantum materials. @jyuscience https://t.co/ZNjguvCcFK

[Muhammad Sajeer @Sajeerp_]

I'm in my 4th year of #PhD, worked in different labs around the world, heard from several postdocs, PhDs and UG's...

Dear supervisors, here are my suggestions to make your research lab a better place & attract talent!
@PhDVoice
@PhD_Genie @AcademicChatter
@AcademicDilemma

[Piotr de Silva @Piotr_deSilva]

I have an opening for a postdoc to work on TD-DFT development. Details and application: https://t.co/nXAIwXtvyp Application deadline: 31 Jan 2024.
RT appreciated #compchem

[Faculty of Mathematics and Science @jyuscience]

Kemian laitos on ollut mukana yhteistyöprojektissa, jonka avulla opittiin ymmärtämään useita mekanismeja, joilla elektrolyytit vaikuttavat sähkökemiallisiin reaktioihin. Se edistää parempien sähkökemiallisten teknologioiden kehittämistä! Lue lisää: https://t.co/uscvX7gEtE

[Marko Melander @markomela]

@hw_ding1840 VASP already has many implementations of GCE-DFT. In my opinion, this is currently the best one: https://t.co/NvTZeUcJkJ and the code should be open source. Also other (free) codes can do GCE-DFT-MD, GPAW being my favorite.

[Marko Melander @markomela]

#Electrocatalysis and #compchem: There are too many names for DFT simulations at fixed electrode potential. Constant potential method, constant Fermi-level, constant work function, controlled-potential, grand canonical (ensemble) GCE-DFT. Confusing but these are all same. 1/2

[Tejs Vegge @TVegge]

Full Professorship @DTUEnergy in computational materials #discovery! Come work with transdisciplinary experts in #batteries and #Power2X in project like @BIGMAP_EU and the @GrundforskFond Pioneer Center #CAPeX Please Repost! @acceleration_c @2030Battery
https://t.co/z7EeFIrMDD

[Atomic Scale Physics @AaltoAtoms]

We are looking for a PhD student to work on low-temperature scanning tunneling microscopy experiments on correlated 2D materials. Details can be found at https://t.co/WCSftPVqLM

[Marko Melander @markomela]

The cations for instance affect 1) the surface coverage, 2) reaction and thermodynamics, 3) mechanism, and 4) the solvent reorganization through short-range Coulombic interactions. For the complete stories, have a look at https://t.co/l5DRDTZpXj and https://t.co/jbLoRFCNUW

[Marko Melander @markomela]

In two recent publications we have gained insight on the role of electrolyte cations in two alkaline reduction reactions: the O2 and CO2 reduction reactions. Long stories short: the cations critically impact the activity and selectivity of these reactions through multiple effects