Alicia van Hees, supervised by Chao Zhang @chazhaUU, is delivering this week’s Battery Monday Seminar titled “Protonic reactivity – computational studies of bulk and interfacial effects”.
Today, Lisanne Knijff, supervised by @chazhaUU, 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 @ruhrunibochum. @chem_angstrom
Very happy to introduce our new paper "PiNN: Equivariant Neural Network Suite for Modeling Electrochemical Systems": https://t.co/QUGDSLLkfH. Big congrates to the team! @angstromABC@chem_angstrom@JCIM_JCTC@ML_Chem
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: https://t.co/MGwbA7XCcq. Congratulations to Alica! @chem_angstrom@JPhysChem
A long-awaited work from my PhD student Linnéa Andersson was just accepted by Angewandte! Finite-field DFTMD method goes to metallic electrodes! https://t.co/TnTWRcr72N Thank the support from @ERC_Research and anonymous referees. @UU_University @chem_angstrom@angstromABC
Join us for the 2024 WASP-WISE symposium on Machine Learning for Materials and Molecular Discoveries (ML2MD) at Gothenburg (August 26 - August 28)! https://t.co/NTaiBhMR7L
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! https://t.co/8Q19AIgn8C @chem_angstrom @Vero_Augustyn
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! https://t.co/8Q19AIgn8C @chem_angstrom @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! https://t.co/Oes547crr6 @chem_angstrom@JChemPhys
We proudly announce Symposium A05 at the 244th ECS Meeting in Gothenburg. https://t.co/jCv02nqoZw
Submit now to A05 and win two prizes for oral/poster presentations!
@chem_angstrom@StructuralChem1@ECSorg@MaterialsToday @Vero_Augustyn
@gagliardi8 @ACSPublications I once sent en informal inquiry to ACS Energy Lett. on Saturday morning and the EIC replied few hours later. I was impressed and it is clear to me why the Journal is leading. I guess as an EIC, one should to take an active approach because there is no guaranteed success.
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 https://t.co/8HLPSDtyQZ @chem_angstrom, @StructuralChem1, #compchem
Temperature effects on the ionic conductivity in concentrated alkaline electrolyte solutions - now published in Physical Chemistry Chemical Physics https://t.co/dzEyEp4P53
Here is one recent work from my squad where the collaborations with Matti Hellström and Jonas Mindemark dated back to two years ago ! [1912.00640] Temperature effects on the ionic conductivity in concentrated alkaline electrolyte solutions https://t.co/9yaOHftkSa