Many congratulations to UCL Chemical Engineering #UCLGrad Xavier Rosas Advincula who has been awarded the Goldsmith Medal Award, the highest honour in the @uclengineering Faculty. #OutstandingAcademicPerformance

Watch UCL Chemical Engineering Head of Dept, Prof @SorensenEva congratulate Xavier on his award at the #UCLGrad ceremony 👏

Really Proud of Xavier R. Advincula who has been recognized for the amazing work done during his studies at UCL Chemical Engineering, including his MEng research in our group! Congratulations Xavier & all the best for your future steps @icegroupcam!

Xavier Rosas Advincula -promoción Saxum- fue galardonado con el Goldsmith Medal Award, el mayor honor que se concede a los alumnos de Ingeniería en la UCL. “Es el mejor estudiante de Ingeniería de los últimos 25 años” según afirma Eva Sorensen ¡Muchas felicidades Xavier!

Congratulations to UCL Chemical Engineering UCL Alumni graduate Xavier Rosas Advincula Xavier R. Advincula who won the 2022 Best Research Student Project CENG0038. The award was sponsored for the first time by the @UCL spinout company Bramble Energy Ltd. ➡️ Find out more: buff.ly/3Hdleq2

Very excited to share this paper that I contributed to as part of my Master's project with the MME_group! 🏛️

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.

Is ice a primarily hydrogen bonded? Pavan Ravindra Xavier R. Advincula challenge this idea. In nanoscale confinement, it turns into a 1D hydrogen bonded material with vdW stabilized chains! arxiv.org/abs/2312.01340 More coming from Pavan's MPhil @icegroupcam Cambridge Chemistry !

Our large collaborative effort shows the impressive range of applicability of foundational ML potentials, developed using only open-source data and software. More than 30 applications, including MOFs, catalysis, water, and more simulated with one model. arxiv.org/abs/2401.00096

A simple exp on finetuning foundational #ML potentials Ilyes Batatia @icegroupcam for predicting molecular crystal stabilities! TLDR: Finetuning > training from scratch. 50 training points to quantitatively sample the NPT ensemble! Feedback welcome! arxiv.org/abs/2405.20217

Super excited to share our latest work on hydrogen bonding in nanoconfined ice, now out in Nature Communications! We highlight fascinating behaviors emerging when water is trapped in confined environments. Check out Pavan Ravindra's thread for details! ⚡️

We study #quantum nuclear effects (NQEs) for proton disorder in nanoconfined water. Pavan Ravindra uses #MachineLearning potentials to show NQEs play a heightened role compared to bulk and induce superionic proton transport in other molecular water. arxiv.org/abs/2410.03272

Protons accumulate at the graphene–water interface, with hydronium stabilized in the first contact layer, while hydroxide is partially excluded and distributed between surface and bulk regions. Read it here 🔗 go.acs.org/cxp