Our group has a PhD position available in atomistic simulations of molten salts, starting in Spring 2026! Visit deli-lab.org/join for details, and get in touch if you're interested!

Checkout our article on "The intricacies of computational electrochemistry" ACSEnergyLett! It summarizes a lot of discussions from a workshop we organized last year. Shout-out to my co-first authors Georg and Joe, and to Katharina for leading this! tinyurl.com/compechem

Love the title: Journal Impact Nonsense How many of these "Number One Most Impactful Journal" names have you heard of? science.org/content/blog-p…

Exciting couple of weeks ahead - First stop is psi-k 2025 in Lausanne next week, followed by LJC-CECAM 2025 in Cambridge (details of my presentations below). I look forward to meeting my former mentors, friends, and interacting with many leaders in the field!

Currently the #1 most read article in ACS Energy Letters :) pubs.acs.org/action/showMos…

We are looking for candidates interested in applying to a joint PhD program between NTU and Sorbonne University starting Aug 2026! The project involves atomistic simulations of water in salt electrolytes. More details on the project can be found here: tinyurl.com/ntu-sorbonne

Excited that OC25 dataset and models for solid-liquid interfaces is out! It was great fun working on this project with FAIR Chemistry AI at Meta! We hope OC25 will accelerate the modeling of interfaces and are looking forward to feedback from the community! See details below!

Key aspects of OC25: 1. ~7 million DFT evaluations across 1.5 million unique structures 2. 8 solvents: Water, THF, Benzene, Diethyl ether, DMSO, CCl4, methanol, hexane 3. Several cations and anions 4. Wide range of surface charge densities of metal/electrolyte interfaces

Our article is on the front cover of this month's issue ACSEnergyLett! About the Cover: The development of multiscale modeling approaches can act as a lens to visualize and understand electrochemical processes. To evolve towards a mature field, strengths and limitations of

My (not so random) musings after reading recent literature and reviewing papers on this topic: Many (electro)catalytic reactions produce multiple products. As a result, predicting product selectivity as a function of catalyst material/reaction environment is of interest. Always