There is a postdoc opening in our group at Aalto University, to work on using ML force fields and multiscale simulations to find electrocatalysts for the CO2 reduction reaction. Please RT. To apply follow this link: miguelcaro.org/wp/open-positi…

This paper has taken a lot of time and effort, but it's finally on arXiv. Adding van der Waals corrections to GAP force fields. We can do TS as accurately as VASP, and the TS forces are actually *more accurate*. Thanks to Heikki and the other coauthors. arxiv.org/abs/2105.02525

Nested sampling helped us discover a couple of new phases of the Jagla model, providing additional insight to liquid-liquid phase transitions and parallels with ice: journals.aps.org/prl/abstract/1… University of Warwick Livia Bartok-Partay BOKU University HetSys CDT

Don’t choose between caregiving and your chemistry research career. Join Dr Livia Bartók-Pártay for a Live Chat on the benefits of a Dorothy Hodgkin Fellowship. warwick.ac.uk/fac/sci/chemis…

Would be very honored to have candidates from: COSMO Lab, Sosso Group, Albert Bartok-Partay, Pavlo Dral, @icegroupcam, Anatole von Lilienfeld, Parrinello Group, TheMSNEPGroup, Max Bonomi, @TcpUniLu

Calling all young and early-career researchers: Interested in using machine learning potentials in your work? Want to learn about the field from fellow researchers who have been instrumental in developing this emerging field? Register now at mlip-workshop-2021.xyz

Interested in doing a PhD at the interface of #compchem #ml catalysis/supramolecular chemistry? We have two interdisciplinary projects available for 2022 entry via the OxICFM

PhD project opportunity in the HetSys CDT, supervised by Reinhard Maurer, Letif Mones (InveniaLabs) and myself on using GNNs to study power grids and molecules: warwick.ac.uk/fac/sci/hetsys…

Please submit your paper for our ReproHack, we have some serious allocation to reproduce even a computational heavyweight study💻💰.

Warwick Engineering is expanding its research activity in materials science by recruiting an Assistant Professor (R&T). Details at jobs.ac.uk/job/CWW991/ass…. Applications welcome. Deadline: 12th March 2023.

If you read one paper of mine*, read nature.com/articles/s4152…, in Peter Brindisi with Livia Bartok-Partay & #ErinTeich, incl. quotes from Nicola Spaldin, Kristin Persson, Sharon Glotzer, #SusanBSinnott, #GiuliaGalli, @gagliardi8, & @superlagartixa 1/

Great evening with double-group BBQ with Albert Bartok-Partay, having Lakshmi Shenoy, Omar, sascha klawohn, Seb, Jeremy, Matt, Mariia, Patricia (Miguel Caro group), @ChuggyChungus, Ray (Robert Wexler group), Georgia Marchant 🏳️‍⚧️ 🇵🇸.

The second edition of the GAP Devs & Users meeting is happening on 12-15 September University of Warwick. This year also featuring ACE and MACE. Visit the website for more info, including registration instructions: gap-ml.org/du-meetings/du…. Albert Bartok-Partay Livia Bartok-Partay James Kermode

Don't forget to register for the Computational Molecular Science 2024 in Warwick. Abstract submission deadline for oral contributions is Friday 10th May! warwick.ac.uk/fac/sci/chemis…

Registration is still open for the 7th Computational Molecular Science (CMS 2024) conference, covering quantum chemistry, machine learning, bio- and soft-matter simulations. We'll also host the RSC TC graduate student meeting. Join us in Warwick! warwick.ac.uk/fac/sci/chemis…

Have you registered for CMS 2024? Check out the programme and join us in Warwick for the conference bringing together the UK computational chemistry community. Register: warwick.ac.uk/fac/sci/chemis… Warwick Chemistry CaTCh@Warwick ccp5 CCPBioSim #ccp9 MSDE journal Soft Matter

So excited, CMS is less than a month away! Register for one of the few remaining spots: warwick.ac.uk/fac/sci/chemis… HetSys CDT ccp5 CCPBioSim Soft Matter Warwick Chemistry #CCP9 MSDE journal Royal Society of Chemistry

Fully funded computational modelling focused PhD projects at the HetSys CDT in Warwick. See details below and check out our project with Albert Bartok-Partay to study the unique properties of potassium! warwick.ac.uk/fac/sci/hetsys… HetSys CDT CaTCh@Warwick University of Warwick