Xavier R. Advincula

PhD Student in @icegroupcam @ChemCambridge and FAST group @DeptofPhysics

[ACS Nano @acsnano]

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 🔗 https://t.co/vbL1V9iBEZ

[Venkat Kapil @venkatkapil24]

We study #quantum nuclear effects (NQEs) for proton disorder in nanoconfined water. @pavanravindra1 uses #MachineLearning potentials to show NQEs play a heightened role compared to bulk and induce superionic proton transport in other molecular water.

https://t.co/WXwLDSjF25

[Xavier R. Advincula @XavierAdvincula]

Super excited to share our latest work on hydrogen bonding in nanoconfined ice, now out in @NatureComms! We highlight fascinating behaviors emerging when water is trapped in confined environments. Check out @pavanravindra1's thread for details! ⚡️

[Pavan Ravindra @pavanravindra1]

How does hydrogen bonding change when water is confined to nanometer-scale pockets?
Our recent work in @NatureComms highlights several interesting hydrogen bonding behaviors in nanoconfined water (1/N): https://t.co/p2XJO3KLUh
@XavierAdvincula @ChristophSchran @venkatkapil24

[Venkat Kapil @venkatkapil24]

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

https://t.co/aEiXExhiHs

[Ilyes Batatia @IlyesBatatia]

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.
https://t.co/ARgZOWtsIC

[Venkat Kapil @venkatkapil24]

Is ice a primarily hydrogen bonded? @pavanravindra1 @XavierAdvincula challenge this idea. In nanoscale confinement, it turns into a 1D hydrogen bonded material with vdW stabilized chains!

https://t.co/cUbNYF8R90

More coming from Pavan's MPhil @icegroupcam @ChemCambridge !

[Florian Dietrich @floriandietrix]

I am very happy to share my first First-Author publication, now published in @JCIM_JCTC :
https://t.co/xJzIjYYuvs

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.

[Xavier R. Advincula @XavierAdvincula]

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

[MME_group @UCL_MMEgroup]

Computing collective variables to model nucleation is often an efficiency bottleneck in simulating self assembly processes. Here⬇️Florian developed a GNN model to efficiently approximate such CVs paving the way for applications to realistic systems: https://t.co/HN5omkI7iJ

[UCL Chemical Engineering @uclchemeng]

Congratulations to @uclchemeng @UCLAlumni graduate Xavier Rosas Advincula @XavierAdvincula who won the 2022 Best Research Student Project CENG0038. The award was sponsored for the first time by the @UCL spinout company @BrambleEnergy.

���️ Find out more: https://t.co/vXVAuVrYxx

[Col·legi Xaloc @xaloc_edu]

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!

[UCL Chemical Engineering @uclchemeng]

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

[MME_group @UCL_MMEgroup]

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

[UCL Chemical Engineering @uclchemeng]

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