Jonathan Church

First paper of the year out today on @JCIM_JCTC Excellent work, led by @JonR_Church, @OfirBlumer and in collaboration with @Shlomi_Reuveni @chemistrytau @TelAvivUni @BioSoftTAU Informed resetting and direct transit times (AKA transition path times) (1/3) doi.org/10.1021/acs.jc…

What is better than stochastic resetting for enhanced sampling? INFORMED stochastic resetting. Check out our new preprint here: arxiv.org/abs/2409.10115 Postdoc Jon Church @JonR_Church led the paper 👑 Read this through: WE HAVE PORTALS! @chemistrytau @BioSoftTAU @TelAvivUni

Together with @DinaSchneidman and @JonR_Church we report the use Geometric Deep Learning for prediction of absorption maxima in rhodopsins! Check it out and try the code! pubs.acs.org/doi/10.1021/ac…

Post-doc positions in my research group are available 👨‍🔬 Desirable fields: (i)biosensor based on nanocomposite involving spectroscopic characterization🔬 (ii)simulations & DFT🖥️ to understand material properties. National & international applications are invited!! email 📩 /DM 📥

Together with Cecilia Clementi @CecClementi and Nir Ben-Tal, we are organizing @cecamEvents workshop "Multiscale Simulation of Photoresponsive Biological Systems" organized in Tel Aviv, September 10-13. Check it out: cecam.org/workshop-detai…

Current mood

I am the organisier of ICRP 2024 please take note and add to your agenda and retweet!

[ASAP] The OpenMolcas : A Community-Driven Approach to Advancing Computational Chemistry ift.tt/dYfvXe9

Happy to share the final version of my work with @foeroyingur and @IgorSchapiro highlighting the improvement obtained from the fragment-based polarizable embedding scheme when calculating the excitation energies of photoreceptor proteins with QM/MM. doi.org/10.2142/biophy…

Interested in azobenzenes and/or cages? Please check out our new paper, in which we introduce DESC! chemrxiv.org/engage/chemrxi… Led by superb student @juliusgemen, with many thanks to our amazing collaborators @APriimagi @IgorSchapiro @duRNDN_NA @TPRuoko et al.