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Excited to finally share the first paper of my PhD after 2 years of hard work! Looking forward to continuing work on more systems using my new method :)

Scientific presentations included Florian Dietrich Florian Dietrich, PhD candidate at MME_group joining us for the first time explaining the Nucleation work he is doing

I am very happy to share my first First-Author publication, now published in JCIM & JCTC Journals : pubs.acs.org/doi/10.1021/ac… We present a method to construct approximations of expensive CVs, that can be used in enhanced sampling simulations and show how to recover the analytical FESs.

Estimating the convergence of MetaD usually requires a-posteriori analysis. Moreover the sampling obtained while tuning simulation parameters goes unused. Antoniu developed an approach (& code) to tackle these issues: chemrxiv.org/engage/chemrxi… Crystallisation in the Real World UCL Chemical Engineering

Digitally designing crystallization processes from molecular structure. What does it entail & how close are we? These and other questions are addressed in this (rather extensive) collaborative work led by Chris Burcham Eli Lilly and Company : doi.org/10.26434/chemr…

Very happy to see this collaborative work out J. Am. Chem. Soc. - Shashanka Indri Florian Dietrich and Matteo Salvalaglio use in situ cryo-EM and unbiased MD simulations to reveal the ‘particle attachment’ crystallization mechanism of guanine Ben-Gurion University of the Negev pubs.acs.org/doi/full/10.10…