🔥The 9th Round of Easy Loan, Earn $40 Reward is in progress❗️ ⏰ Promotion Period: January 15th - Feburary 15th, 2025 👉 Register now and check more details at gate.io/campaigns/358

#compchem Good read: Molecular simulation approaches to study crystal nucleation from solutions: Theoretical considerations and computational challenges doi.org/10.1002/wcms.1…

Our review on "Molecular simulation approaches to study crystal nucleation from solutions" is out & open access in WIRES Computational Molecular Science! Thanks to @Sossogroup & the anonymous reviewers for their feedback! Crystallisation in the Real World UCL Chemical Engineering wires.onlinelibrary.wiley.com/doi/10.1002/wc…

Funded PhD studentship on ‘scalable design of perovskite solar cells inspired by nature’, (ucl-epsrc-dtp.github.io/2024-25-projec…) UCL Chemical Engineering via UCL EPSRC DTP 2024/25. Apply here (ucl.ac.uk/epsrc-doctoral…). Home/UK students or international students may apply. Closing date: 8 Jan 2024.

Explore our new UCL Chemical Engineering Centenary publication, offering an overview of our department during the Centenary year 2023-24. Discover the department's rich history and explore our significant accomplishments and milestones spanning the past century. ➡️ buff.ly/472eWTV

See below an excellent opportunity to work with me and other researchers at NanoGUNE in a vibrant and international environment in the beautiful city of Donostia-San Sebastián. Contact me if you are interested in applying. The topic will be ML applied to molecular simulation.

Looking forward to this visit very much and excited to be back in the historic city of Padova

It is group photo time at the UCL Chemical Engineering Department! Check out these lovely smiles. Say cheese! 🧀 📸 #GreatAttendance #UCLChemicalEngineeringSince1923

We have a PhD opening within ht-MATTER - High-throughput modelling of Molecular crystals out-of-equilibrium - UCL Chemical Engineering! If you are interested in molecular simulations, crystal nucleation, & statmech, get in touch! RTs (RPs?) appreciated! Details: findaphd.com/phds/project/p…

We are delighted to announce that Prof Marco Mazzotti @eth_en will be joining UCL Chemical Engineering for a Centenary Seminar on "The role of CCS and CDR in reaching net-zero". Join us on weds, 24 April 2024 @3pm! #UCLChemicalEngineeringSince1923 ➡️ buff.ly/3U41Q42

A new preprint & research direction! Led by Edgar and in collaboration with Michael Shirts + Ahmad's team AbbVie: Assessing the accuracy and efficiency of free energy differences obtained from reweighted flow-based probabilistic generative models - go.shr.lc/3xDZ65J

We had the pleasure of welcoming back John Garside (1960-1966) UCL Chemical Engineering as we hosted alumni in celebration of 100 years of Chemical Engineering at UCL. Listen to John as he shares fond memories of his time at @UCL. #UCLChemicalEngineeringSince1923 ➡️ buff.ly/4eDUais

A new preprint is out, led by Fabienne Bachtiger! We use thermodynamics of phase transitions in confined volumes to estimate the solubility curve of molecular crystals from a handful of equilibrium MD simulations and assess agreement with exp. data! doi.org/10.26434/chemr…

This work is now out in a revised (and more readable) form on Crystal Growth & Design / ACS! Thanks to all who gave us feedback formally & informally!

The work of Antoniu is now out in JCIM & JCTC Journals (lnkd.in/e3cBJTvN) together with an application of MFI to the study of beta scission reactions in explicitly solvated systems led by Francesco Serse in collaboration with Matteo Pelucchi Politecnico di Milano lnkd.in/eaeZhgQ8

thanks @tiwarylab for the opportunity to talk about our work! credits for the results I have shown go to Nicholas for the CSP reduction ideas, and twitterless Edgar Olehnovics MME_group for the hard work on getting flow-based free energy calculations up and running!

Guanine Crystallization by Particle Attachment | Journal of the American Chemical Society Matteo Salvalaglio MME_group pubs.acs.org/doi/10.1021/ja…