
Chao Zhang
@chazhauu
A computational chemist interested in electrochemical systems
ID: 139196396
https://tec-group.github.io 01-05-2010 21:29:54
19 Tweet
71 Followers
33 Following




Finite-field coupling via learning the charge response kernel doi.org/10.1088/2516-1… via IOPscience Department of Chemistry - Ångström Structural Chemistry @ Uppsala University #compchem

Do you want to know how to compare the experiment and the molecular dynamics simulation for the transference number in polymer electrolytes? Check out our recent work just published in JACS doi.org/10.1021/jacs.2… Department of Chemistry - Ångström, Structural Chemistry @ Uppsala University, #compchem

Check out our recent work "Transference Number in Polymer Electrolytes: Mind the Reference-Frame Gap" Structural Chemistry @ Uppsala University #COMPCHEM

We proudly announce Symposium A05 at the 244th ECS Meeting in Gothenburg. ecs.confex.com/ecs/244/cfp.cgi Submit now to A05 and win two prizes for oral/poster presentations! Department of Chemistry - Ångström Structural Chemistry @ Uppsala University ECS @MaterialsToday @Vero_Augustyn


Here is our most recent work in the research line of linking experiments and molecular simulations of polymer electrolytes, a step forward to completing this jigsaw puzzle! pubs.aip.org/aip/jcp/articl… Department of Chemistry - Ångström The Journal of Chemical Physics

We gladly announce the international symposium on "Metal-Oxide/Water Interactions in Electrochemistry: Theory Meets Experiment" will take place at Uppsala from June 3rd to 5th 2024! Looking forward to meeting you there! bit.ly/mowiie24 Department of Chemistry - Ångström @Vero_Augustyn



A long-awaited work from my PhD student Linnéa Andersson was just accepted by Angewandte! Finite-field DFTMD method goes to metallic electrodes! doi.org/10.1002/anie.2… Thank the support from European Research Council (ERC) and anonymous referees. @UU_University Department of Chemistry - Ångström Ångström Advanced Battery Centre

How the salt concentration and the buffer pKa would affect the equilibrium potential of HER? Check out our recent work on understanding HER activity in water-in-salt types of electrolytes: pubs.acs.org/doi/10.1021/ac…. Congratulations to Alica! Department of Chemistry - Ångström The Journal of Physical Chemistry


Very happy to introduce our new paper "PiNN: Equivariant Neural Network Suite for Modeling Electrochemical Systems": doi.org/10.1021/acs.jc…. Big congrates to the team! Ångström Advanced Battery Centre Department of Chemistry - Ångström JCIM & JCTC Journals Machine Learning in Chemistry

Today, Lisanne Knijff, supervised by Chao Zhang, has successfully defended her PhD thesis, titled “Dipole and Charge Prediction for Electrochemcial Systems from Atomistic Machine Learning.” The faculty opponent was Prof. Marialore Sulpizi from Ruhr-Universität Bochum. Department of Chemistry - Ångström


Alicia van Hees, supervised by Chao Zhang Chao Zhang, is delivering this week’s Battery Monday Seminar titled “Protonic reactivity – computational studies of bulk and interfacial effects”.
